CID 458589

5-(carbamoylamino)pentanoic acid

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

C(CCNC(=O)N)CC(=O)O

InChI

InChI=1S/C6H12N2O3/c7-6(11)8-4-2-1-3-5(9)10/h1-4H2,(H,9,10)(H3,7,8,11)

InChIKey

JKFZKHRPJOYSAM-UHFFFAOYSA-N

Compound name

5-(carbamoylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 160.0848 Da
Monoisotopic Mass: -0.8
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]+	161.09208	134.8
[M+Na]+	183.07402	140.8
[M+NH4]+	178.11862	140.0
[M+K]+	199.04796	138.3
[M-H]-	159.07752	132.5
[M+Na-2H]-	181.05947	135.7
[M]+	160.08425	134.2
[M]-	160.08535	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe