PubChemLite - Lauryl sulfate (C12H26O4S)

Structural Information

Molecular Formula

C₁₂H₂₆O₄S

SMILES

CCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)

InChIKey

MOTZDAYCYVMXPC-UHFFFAOYSA-N

Compound name

dodecyl hydrogen sulfate

Related CIDs

CID 8778
CID 8910
CID 16700
CID 78449
CID 161348
CID 165066
CID 167546
CID 170035
CID 2735071
CID 3423265
CID 4329331
CID 10415276
CID 15610387
CID 21909502
CID 22593158
CID 23669623
CID 23700838
CID 73555171
CID 87069277
CID 138394960

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.16246	164.7
[M+Na]+	289.14440	171.6
[M+NH4]+	284.18900	169.9
[M+K]+	305.11834	164.7
[M-H]-	265.14790	161.4
[M+Na-2H]-	287.12985	164.5
[M]+	266.15463	164.9
[M]-	266.15573	164.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

267.16246

164.7

[M+Na]+

289.14440

171.6

[M+NH4]+

284.18900

169.9

[M+K]+

305.11834

164.7

[M-H]-

265.14790

161.4

[M+Na-2H]-

287.12985

164.5

[M]+

266.15463

164.9

[M]-

266.15573

164.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Lauryl sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe