CID 135850199

Syringaldoxime

Structural Information

Molecular Formula
C9H11NO4
SMILES
COC1=CC(=CC(=C1O)OC)/C=N\O
InChI
InChI=1S/C9H11NO4/c1-13-7-3-6(5-10-12)4-8(14-2)9(7)11/h3-5,11-12H,1-2H3/b10-5-
InChIKey
HWNAFGCZZCDVBB-YHYXMXQVSA-N
Compound name
4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 138.3
[M+Na]+ 220.058018 147.3
[M-H]- 196.061524 141.5
[M+NH4]+ 215.102623 157.3
[M+K]+ 236.031958 146.0
[M+H-H2O]+ 180.066060 132.5
[M+HCOO]- 242.067001 163.4
[M+CH3COO]- 256.082651 183.9
[M+Na-2H]- 218.043466 144.3
[M]+ 197.06825142 141.7
[M]- 197.06934858 141.7
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