CID 229875

89532-09-2

Structural Information

Molecular Formula

C₆H₁₁N₃O₃

SMILES

CC(=NNC(=O)N)CCC(=O)O

InChI

InChI=1S/C6H11N3O3/c1-4(2-3-5(10)11)8-9-6(7)12/h2-3H2,1H3,(H,10,11)(H3,7,9,12)

InChIKey

FMVMFABHHLRSFT-UHFFFAOYSA-N

Compound name

4-(carbamoylhydrazinylidene)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 173.08005 Da
Monoisotopic Mass: -1.4
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]+	174.08733	138.0
[M+Na]+	196.06927	143.0
[M+NH4]+	191.11387	142.7
[M+K]+	212.04321	141.3
[M-H]-	172.07277	136.0
[M+Na-2H]-	194.05472	138.7
[M]+	173.07950	137.3
[M]-	173.08060	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe