CID 25184

Nitraminoacetic acid

Structural Information

Molecular Formula

C₂H₄N₂O₄

SMILES

C(C(=O)O)N[N+](=O)[O-]

InChI

InChI=1S/C2H4N2O4/c5-2(6)1-3-4(7)8/h3H,1H2,(H,5,6)

InChIKey

MJHPFRRMGOFOJL-UHFFFAOYSA-N

Compound name

2-nitramidoacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 63
Patents: 120.017105 Da
Monoisotopic Mass: 0.1
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]+	121.024381	116.6
[M+Na]+	143.006323	123.4
[M-H]-	119.009829	116.1
[M+NH4]+	138.050928	137.0
[M+K]+	158.980263	120.0
[M+H-H2O]+	103.014365	116.7
[M+HCOO]-	165.015306	142.2
[M+CH3COO]-	179.030956	161.7
[M+Na-2H]-	140.991771	125.2
[M]+	120.01655642	114.0
[M]-	120.01765358	114.0

Literature stripe

literature stripe

Patent stripe

patents stripe