CID 116030

2,6-dihydroxy-4-methyl-3,5-dinitrosobenzoic acid

Structural Information

Molecular Formula
C8H6N2O6
SMILES
CC1=C(C(=C(C(=C1N=O)O)C(=O)O)O)N=O
InChI
InChI=1S/C8H6N2O6/c1-2-4(9-15)6(11)3(8(13)14)7(12)5(2)10-16/h11-12H,1H3,(H,13,14)
InChIKey
ZWLNSZOYUZCBFG-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-4-methyl-3,5-dinitrosobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02258 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02986 143.9
[M+Na]+ 249.01180 153.7
[M+NH4]+ 244.05640 148.4
[M+K]+ 264.98574 151.8
[M-H]- 225.01530 143.4
[M+Na-2H]- 246.99725 147.0
[M]+ 226.02203 144.6
[M]- 226.02313 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.