CID 5095842

3-amino-5-nitrosalicylic acid

Structural Information

Molecular Formula
C7H6N2O5
SMILES
C1=C(C=C(C(=C1C(=O)O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O5/c8-5-2-3(9(13)14)1-4(6(5)10)7(11)12/h1-2,10H,8H2,(H,11,12)
InChIKey
JFTUSFFYSRNFBA-UHFFFAOYSA-N
Compound name
3-amino-2-hydroxy-5-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

581
Patents

198.02766 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03494 134.2
[M+Na]+ 221.01688 141.9
[M-H]- 197.02038 135.7
[M+NH4]+ 216.06148 150.8
[M+K]+ 236.99082 136.0
[M+H-H2O]+ 181.02492 133.3
[M+HCOO]- 243.02586 157.7
[M+CH3COO]- 257.04151 174.9
[M+Na-2H]- 219.00233 139.8
[M]+ 198.02711 130.7
[M]- 198.02821 130.7
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