CID 57578793

(1-methanesulfonylcyclopropyl)methanol

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

CS(=O)(=O)C1(CC1)CO

InChI

InChI=1S/C5H10O3S/c1-9(7,8)5(4-6)2-3-5/h6H,2-4H2,1H3

InChIKey

DZHVIHLGSPFPGN-UHFFFAOYSA-N

Compound name

(1-methylsulfonylcyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 150.03506 Da
Monoisotopic Mass: -0.7
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	135.9
[M+Na]+	173.02428	146.6
[M+NH4]+	168.06888	145.3
[M+K]+	188.99822	140.6
[M-H]-	149.02778	142.0
[M+Na-2H]-	171.00973	143.1
[M]+	150.03451	140.7
[M]-	150.03561	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe