CID 22352625

N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

CS(=O)(=O)NC1CCNC1

InChI

InChI=1S/C5H12N2O2S/c1-10(8,9)7-5-2-3-6-4-5/h5-7H,2-4H2,1H3

InChIKey

NTNHDTQXUCWRCJ-UHFFFAOYSA-N

Compound name

N-pyrrolidin-3-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 164.06195 Da
Monoisotopic Mass: -0.9
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]+	165.069226	133.8
[M+Na]+	187.051168	140.6
[M-H]-	163.054674	134.6
[M+NH4]+	182.095773	154.3
[M+K]+	203.025108	138.5
[M+H-H2O]+	147.059210	128.4
[M+HCOO]-	209.060151	149.7
[M+CH3COO]-	223.075801	171.5
[M+Na-2H]-	185.036616	137.0
[M]+	164.06140142	131.2
[M]-	164.06249858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe