CID 32784

Nitrosoiminodiacetic acid

Structural Information

Molecular Formula

C₄H₆N₂O₅

SMILES

C(C(=O)O)N(CC(=O)O)N=O

InChI

InChI=1S/C4H6N2O5/c7-3(8)1-6(5-11)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)

InChIKey

XLYVHYXTFHZCNY-UHFFFAOYSA-N

Compound name

2-[carboxymethyl(nitroso)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 31
References: 1
Patents: 162.02766 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]+	163.03494	127.6
[M+Na]+	185.01688	133.7
[M-H]-	161.02038	128.2
[M+NH4]+	180.06148	147.0
[M+K]+	200.99082	136.0
[M+H-H2O]+	145.02492	121.8
[M+HCOO]-	207.02586	152.8
[M+CH3COO]-	221.04151	181.2
[M+Na-2H]-	183.00233	132.5
[M]+	162.02711	129.6
[M]-	162.02821	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe