CID 135444

Cyclopropylmethyl methanesulfonate

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

CS(=O)(=O)OCC1CC1

InChI

InChI=1S/C5H10O3S/c1-9(6,7)8-4-5-2-3-5/h5H,2-4H2,1H3

InChIKey

KVGWLBBNYLXXSJ-UHFFFAOYSA-N

Compound name

cyclopropylmethyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 150.03506 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]+	151.04234	127.9
[M+Na]+	173.02428	137.8
[M-H]-	149.02778	132.9
[M+NH4]+	168.06888	144.7
[M+K]+	188.99822	136.0
[M+H-H2O]+	133.03232	122.4
[M+HCOO]-	195.03326	146.5
[M+CH3COO]-	209.04891	174.8
[M+Na-2H]-	171.00973	133.1
[M]+	150.03451	134.2
[M]-	150.03561	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe