CID 286268

55512-99-7

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

CCCC(C(=O)O)NC(=O)N

InChI

InChI=1S/C6H12N2O3/c1-2-3-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)

InChIKey

GMSQPJHLLWRMCW-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 160.0848 Da
Monoisotopic Mass: -0.4
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	135.3
[M+Na]+	183.07402	140.2
[M-H]-	159.07752	133.7
[M+NH4]+	178.11862	154.2
[M+K]+	199.04796	140.3
[M+H-H2O]+	143.08206	129.8
[M+HCOO]-	205.08300	157.1
[M+CH3COO]-	219.09865	180.0
[M+Na-2H]-	181.05947	137.2
[M]+	160.08425	132.8
[M]-	160.08535	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe