CID 135460299

2169-99-5

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=CC=CC(=C1O)/C=N/O
InChI
InChI=1S/C8H9NO3/c1-12-7-4-2-3-6(5-9-11)8(7)10/h2-5,10-11H,1H3/b9-5+
InChIKey
GJDGYWVSQUBDDP-WEVVVXLNSA-N
Compound name
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

167.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.3
[M+Na]+ 190.047458 139.9
[M-H]- 166.050964 134.3
[M+NH4]+ 185.092063 151.3
[M+K]+ 206.021398 138.3
[M+H-H2O]+ 150.055500 125.7
[M+HCOO]- 212.056441 156.6
[M+CH3COO]- 226.072091 177.4
[M+Na-2H]- 188.032906 138.5
[M]+ 167.05769142 132.5
[M]- 167.05878858 132.5
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