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: 39
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]+	161.092076	135.3
[M+Na]+	183.074018	140.2
[M-H]-	159.077524	133.7
[M+NH4]+	178.118623	154.2
[M+K]+	199.047958	140.3
[M+H-H2O]+	143.082060	129.8
[M+HCOO]-	205.083001	157.1
[M+CH3COO]-	219.098651	180.0
[M+Na-2H]-	181.059466	137.2
[M]+	160.08425142	132.8
[M]-	160.08534858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe