Myristyl sulfate (C14H30O4S)

Structural Information

Molecular Formula

C₁₄H₃₀O₄S

SMILES

CCCCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)

InChIKey

URLJMZWTXZTZRR-UHFFFAOYSA-N

Compound name

tetradecyl 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]+	295.193776	172.4
[M+Na]+	317.175718	176.3
[M-H]-	293.179224	169.8
[M+NH4]+	312.220323	187.6
[M+K]+	333.149658	172.9
[M+H-H2O]+	277.183760	166.2
[M+HCOO]-	339.184701	186.4
[M+CH3COO]-	353.200351	198.9
[M+Na-2H]-	315.161166	172.5
[M]+	294.18595142	180.6
[M]-	294.18704858	180.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

295.193776

172.4

[M+Na]+

317.175718

176.3

[M-H]-

293.179224

169.8

[M+NH4]+

312.220323

187.6

[M+K]+

333.149658

172.9

[M+H-H2O]+

277.183760

166.2

[M+HCOO]-

339.184701

186.4

[M+CH3COO]-

353.200351

198.9

[M+Na-2H]-

315.161166

172.5

[M]+

294.18595142

180.6

[M]-

294.18704858

180.6

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

Myristyl sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe