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: 113
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	174.4
[M+Na]+	315.19642	181.7
[M+NH4]+	310.24102	180.0
[M+K]+	331.17036	173.3
[M-H]-	291.19992	172.1
[M+Na-2H]-	313.18187	174.5
[M]+	292.20665	175.0
[M]-	292.20775	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe