CID 43256

Carboxymethylnitrosourea

Structural Information

Molecular Formula

C₃H₅N₃O₄

SMILES

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

InChI

InChI=1S/C3H5N3O4/c4-3(9)6(5-10)1-2(7)8/h1H2,(H2,4,9)(H,7,8)

InChIKey

JWFMCQPAQYKFDP-UHFFFAOYSA-N

Compound name

2-[carbamoyl(nitroso)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2
Patents: 147.028 Da
Monoisotopic Mass: -1.0
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]+	148.03528	124.6
[M+Na]+	170.01722	130.8
[M-H]-	146.02072	126.3
[M+NH4]+	165.06182	144.8
[M+K]+	185.99116	133.4
[M+H-H2O]+	130.02526	118.5
[M+HCOO]-	192.02620	151.8
[M+CH3COO]-	206.04185	182.4
[M+Na-2H]-	168.00267	129.6
[M]+	147.02745	124.7
[M]-	147.02855	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe