CID 59841091

2322513-72-2

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

C1CN(C[C@H]1N)C(=O)N

InChI

InChI=1S/C5H11N3O/c6-4-1-2-8(3-4)5(7)9/h4H,1-3,6H2,(H2,7,9)/t4-/m0/s1

InChIKey

OCDRJDSKYRJZEI-BYPYZUCNSA-N

Compound name

(3S)-3-aminopyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 129.09021 Da
Monoisotopic Mass: -1.6
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]+	130.097486	126.5
[M+Na]+	152.079428	132.7
[M-H]-	128.082934	127.8
[M+NH4]+	147.124033	147.8
[M+K]+	168.053368	132.0
[M+H-H2O]+	112.087470	120.1
[M+HCOO]-	174.088411	149.1
[M+CH3COO]-	188.104061	173.6
[M+Na-2H]-	150.064876	129.1
[M]+	129.08966142	120.1
[M]-	129.09075858	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe