CID 62370439

(1-methanesulfonylpyrrolidin-3-yl)methanol

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CS(=O)(=O)N1CCC(C1)CO

InChI

InChI=1S/C6H13NO3S/c1-11(9,10)7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3

InChIKey

KJCHQQDMRBJYPY-UHFFFAOYSA-N

Compound name

(1-methylsulfonylpyrrolidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.06161 Da
Monoisotopic Mass: -0.8
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]+	180.068886	137.5
[M+Na]+	202.050828	145.5
[M-H]-	178.054334	138.6
[M+NH4]+	197.095433	158.0
[M+K]+	218.024768	143.9
[M+H-H2O]+	162.058870	132.7
[M+HCOO]-	224.059811	152.3
[M+CH3COO]-	238.075461	172.8
[M+Na-2H]-	200.036276	139.2
[M]+	179.06106142	137.9
[M]-	179.06215858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe