CID 17823279

Pyrrolidine-3-carboxamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CNCC1C(=O)N

InChI

InChI=1S/C5H10N2O/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2,(H2,6,8)

InChIKey

IQHXABCGSFAKPN-UHFFFAOYSA-N

Compound name

pyrrolidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1843
Patents: 114.079315 Da
Monoisotopic Mass: -1.2
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]+	115.08659	123.7
[M+Na]+	137.06853	129.3
[M-H]-	113.07204	123.7
[M+NH4]+	132.11314	145.1
[M+K]+	153.04247	128.1
[M+H-H2O]+	97.076575	117.7
[M+HCOO]-	159.07752	144.3
[M+CH3COO]-	173.09317	166.1
[M+Na-2H]-	135.05398	127.1
[M]+	114.07877	116.8
[M]-	114.07986	116.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe