CID 121569

2-propanol, 1-(methylsulfonyl)-

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

CC(CS(=O)(=O)C)O

InChI

InChI=1S/C4H10O3S/c1-4(5)3-8(2,6)7/h4-5H,3H2,1-2H3

InChIKey

KQKZDINYUFBARL-UHFFFAOYSA-N

Compound name

1-methylsulfonylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 138.03506 Da
Monoisotopic Mass: -0.6
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	128.0
[M+Na]+	161.02428	136.7
[M+NH4]+	156.06888	135.0
[M+K]+	176.99822	131.9
[M-H]-	137.02778	125.5
[M+Na-2H]-	159.00973	129.8
[M]+	138.03451	128.7
[M]-	138.03561	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe