CID 4095663

55512-98-6

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

CCC(C(=O)O)NC(=O)N

InChI

InChI=1S/C5H10N2O3/c1-2-3(4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)

InChIKey

YZKPZSDKMUSSHE-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 37
Patents: 146.06914 Da
Monoisotopic Mass: -0.5
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]+	147.076416	130.8
[M+Na]+	169.058358	136.1
[M-H]-	145.061864	129.3
[M+NH4]+	164.102963	150.2
[M+K]+	185.032298	136.4
[M+H-H2O]+	129.066400	125.4
[M+HCOO]-	191.067341	152.8
[M+CH3COO]-	205.082991	177.0
[M+Na-2H]-	167.043806	133.2
[M]+	146.06859142	127.8
[M]-	146.06968858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe