CID 415763

Cucurbitine

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

C1CNCC1(C(=O)O)N

InChI

InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)

InChIKey

DWAKXSZUASEUHH-UHFFFAOYSA-N

Compound name

3-aminopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 747
Patents: 130.07423 Da
Monoisotopic Mass: -3.8
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]+	131.081506	126.5
[M+Na]+	153.063448	132.5
[M-H]-	129.066954	125.4
[M+NH4]+	148.108053	148.5
[M+K]+	169.037388	131.0
[M+H-H2O]+	113.071490	121.6
[M+HCOO]-	175.072431	145.8
[M+CH3COO]-	189.088081	165.3
[M+Na-2H]-	151.048896	130.7
[M]+	130.07368142	119.5
[M]-	130.07477858	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe