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

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]+	267.162456	163.7
[M+Na]+	289.144398	168.4
[M-H]-	265.147904	161.6
[M+NH4]+	284.189003	180.1
[M+K]+	305.118338	165.6
[M+H-H2O]+	249.152440	157.9
[M+HCOO]-	311.153381	178.4
[M+CH3COO]-	325.169031	193.0
[M+Na-2H]-	287.129846	164.7
[M]+	266.15463142	171.2
[M]-	266.15572858	171.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

267.162456

163.7

[M+Na]+

289.144398

168.4

[M-H]-

265.147904

161.6

[M+NH4]+

284.189003

180.1

[M+K]+

305.118338

165.6

[M+H-H2O]+

249.152440

157.9

[M+HCOO]-

311.153381

178.4

[M+CH3COO]-

325.169031

193.0

[M+Na-2H]-

287.129846

164.7

[M]+

266.15463142

171.2

[M]-

266.15572858

171.2

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