CID 135399628

6134-79-8

Structural Information

Molecular Formula
C8H9NO3
SMILES
C/C(=N\O)/C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3/b9-5+
InChIKey
FQPRUMXSHZSJGM-WEVVVXLNSA-N
Compound name
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

54
Patents

167.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.4
[M+Na]+ 190.04746 140.4
[M-H]- 166.05096 134.1
[M+NH4]+ 185.09206 151.6
[M+K]+ 206.02140 138.4
[M+H-H2O]+ 150.05550 127.2
[M+HCOO]- 212.05644 155.2
[M+CH3COO]- 226.07209 175.9
[M+Na-2H]- 188.03291 137.8
[M]+ 167.05769 131.1
[M]- 167.05879 131.1
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