CID 5354199

2704-30-5

Structural Information

Molecular Formula

C₄H₇N₃O₃

SMILES

C/C(=N\NC(=O)N)/C(=O)O

InChI

InChI=1S/C4H7N3O3/c1-2(3(8)9)6-7-4(5)10/h1H3,(H,8,9)(H3,5,7,10)/b6-2+

InChIKey

MGIAKYQGSBSNMG-QHHAFSJGSA-N

Compound name

(2E)-2-(carbamoylhydrazinylidene)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 145.04874 Da
Monoisotopic Mass: -0.6
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]+	146.056016	128.0
[M+Na]+	168.037958	133.6
[M-H]-	144.041464	128.2
[M+NH4]+	163.082563	147.8
[M+K]+	184.011898	134.5
[M+H-H2O]+	128.046000	122.2
[M+HCOO]-	190.046941	153.1
[M+CH3COO]-	204.062591	180.1
[M+Na-2H]-	166.023406	131.7
[M]+	145.04819142	125.0
[M]-	145.04928858	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe