CID 20745843

1-methanesulfonylpyrrolidin-3-ol

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

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

InChI

InChI=1S/C5H11NO3S/c1-10(8,9)6-3-2-5(7)4-6/h5,7H,2-4H2,1H3

InChIKey

NOMWMFNPNMHIGI-UHFFFAOYSA-N

Compound name

1-methylsulfonylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 165.04596 Da
Monoisotopic Mass: -1.0
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]+	166.053236	133.1
[M+Na]+	188.035178	141.5
[M-H]-	164.038684	134.4
[M+NH4]+	183.079783	154.1
[M+K]+	204.009118	140.1
[M+H-H2O]+	148.043220	128.5
[M+HCOO]-	210.044161	148.2
[M+CH3COO]-	224.059811	169.8
[M+Na-2H]-	186.020626	135.3
[M]+	165.04541142	133.1
[M]-	165.04650858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe