CID 137964777

N-(cyclopropylmethyl)pyrrolidine-3-sulfonamide hydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₂S

SMILES

C1CC1CNS(=O)(=O)C2CCNC2

InChI

InChI=1S/C8H16N2O2S/c11-13(12,8-3-4-9-6-8)10-5-7-1-2-7/h7-10H,1-6H2

InChIKey

WKNSAHZYHNEVGP-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)pyrrolidine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.09325 Da
Monoisotopic Mass: -0.2
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]+	205.100526	141.5
[M+Na]+	227.082468	148.8
[M-H]-	203.085974	145.8
[M+NH4]+	222.127073	155.4
[M+K]+	243.056408	144.7
[M+H-H2O]+	187.090510	135.3
[M+HCOO]-	249.091451	157.0
[M+CH3COO]-	263.107101	182.5
[M+Na-2H]-	225.067916	144.2
[M]+	204.09270142	141.4
[M]-	204.09379858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.