CID 8912

Sulfuric acid, monooctadecyl ester

Structural Information

Molecular Formula

C₁₈H₃₈O₄S

SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C18H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H,19,20,21)

InChIKey

HVWGGPRWKSHASF-UHFFFAOYSA-N

Compound name

octadecyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 16458
Patents: 350.24908 Da
Monoisotopic Mass: 8.0
XlogP (predicted)

Profile

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]+	351.25636	189.5
[M+Na]+	373.23830	191.6
[M-H]-	349.24180	186.2
[M+NH4]+	368.28290	202.5
[M+K]+	389.21224	187.3
[M+H-H2O]+	333.24634	182.6
[M+HCOO]-	395.24728	202.2
[M+CH3COO]-	409.26293	210.8
[M+Na-2H]-	371.22375	187.7
[M]+	350.24853	199.2
[M]-	350.24963	199.2

Literature stripe

literature stripe

Patent stripe

patents stripe