CID 13551

Isopropyl methanesulfonate

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

CC(C)OS(=O)(=O)C

InChI

InChI=1S/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3

InChIKey

SWWHCQCMVCPLEQ-UHFFFAOYSA-N

Compound name

propan-2-yl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 46
References: 881
Patents: 138.03506 Da
Monoisotopic Mass: 0.4
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]+	139.04234	127.8
[M+Na]+	161.02428	137.1
[M+NH4]+	156.06888	135.2
[M+K]+	176.99822	131.9
[M-H]-	137.02778	125.8
[M+Na-2H]-	159.00973	130.2
[M]+	138.03451	128.9
[M]-	138.03561	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe