CID 138335

Pyrrolidine-1-carboxamide

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CCN(C1)C(=O)N

InChI

InChI=1S/C5H10N2O/c6-5(8)7-3-1-2-4-7/h1-4H2,(H2,6,8)

InChIKey

LCDCPQHFCOBUEF-UHFFFAOYSA-N

Compound name

pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 3448
Patents: 114.079315 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]+	115.08659	123.5
[M+Na]+	137.06853	131.8
[M+NH4]+	132.11314	131.4
[M+K]+	153.04247	129.4
[M-H]-	113.07204	123.9
[M+Na-2H]-	135.05398	127.3
[M]+	114.07877	124.3
[M]-	114.07986	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe