CID 32785

Acetic acid, nitroiminodi-

Structural Information

Molecular Formula
C4H6N2O6
SMILES
C(C(=O)O)N(CC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C4H6N2O6/c7-3(8)1-5(6(11)12)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)
InChIKey
VGRPIZSXGHDRLP-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(nitro)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

178.02258 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02986 129.4
[M+Na]+ 201.01180 134.8
[M-H]- 177.01530 128.5
[M+NH4]+ 196.05640 147.0
[M+K]+ 216.98574 132.3
[M+H-H2O]+ 161.01984 128.8
[M+HCOO]- 223.02078 152.9
[M+CH3COO]- 237.03643 172.7
[M+Na-2H]- 198.99725 134.9
[M]+ 178.02203 128.2
[M]- 178.02313 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe