CID 11100545

Magnesium lauryl hydroxypropyl sulfonate

Structural Information

Molecular Formula

C₁₅H₃₂O₆S

SMILES

CCCCCCCCCCCCOCC(COS(=O)(=O)O)O

InChI

InChI=1S/C15H32O6S/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-15(16)14-21-22(17,18)19/h15-16H,2-14H2,1H3,(H,17,18,19)

InChIKey

ZRJXRFLDXJTCMA-UHFFFAOYSA-N

Compound name

(3-dodecoxy-2-hydroxypropyl) hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 340.19196 Da
Monoisotopic Mass: 4.0
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]+	341.199236	182.3
[M+Na]+	363.181178	184.5
[M-H]-	339.184684	177.9
[M+NH4]+	358.225783	194.6
[M+K]+	379.155118	181.6
[M+H-H2O]+	323.189220	175.7
[M+HCOO]-	385.190161	193.9
[M+CH3COO]-	399.205811	204.2
[M+Na-2H]-	361.166626	180.9
[M]+	340.19141142	191.2
[M]-	340.19250858	191.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe