CID 138691

Tetradecyl methanesulfonate

Structural Information

Molecular Formula

C₁₅H₃₂O₃S

SMILES

CCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(2,16)17/h3-15H2,1-2H3

InChIKey

SHHTUKUQKILIDO-UHFFFAOYSA-N

Compound name

tetradecyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 292.2072 Da
Monoisotopic Mass: 6.3
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]+	293.21448	173.5
[M+Na]+	315.19642	177.6
[M-H]-	291.19992	172.4
[M+NH4]+	310.24102	189.7
[M+K]+	331.17036	174.5
[M+H-H2O]+	275.20446	167.2
[M+HCOO]-	337.20540	188.5
[M+CH3COO]-	351.22105	202.6
[M+Na-2H]-	313.18187	173.4
[M]+	292.20665	182.7
[M]-	292.20775	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe