CID 135455457

Nsc606355

Structural Information

Molecular Formula
C7H6NO4
SMILES
C1=CC(=C(C(=C1/C=N/O)[O-])O)O
InChI
InChI=1S/C7H7NO4/c9-5-2-1-4(3-8-12)6(10)7(5)11/h1-3,9-12H/p-1/b8-3+
InChIKey
BIKJYLCODCGCEF-FPYGCLRLSA-M
Compound name
2,3-dihydroxy-6-[(E)-hydroxyiminomethyl]phenolate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02968 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03696 128.0
[M+Na]+ 191.01890 136.9
[M-H]- 167.02240 128.4
[M+NH4]+ 186.06350 146.7
[M+K]+ 206.99284 135.2
[M+H-H2O]+ 151.02694 125.2
[M+HCOO]- 213.02788 151.7
[M+CH3COO]- 227.04353 171.7
[M+Na-2H]- 189.00435 133.8
[M]+ 168.02913 126.5
[M]- 168.03023 126.5
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.