CID 6875502

3,4,5-trimethoxybenzaldehyde oxime

Structural Information

Molecular Formula
C10H13NO4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/O
InChI
InChI=1S/C10H13NO4/c1-13-8-4-7(6-11-12)5-9(14-2)10(8)15-3/h4-6,12H,1-3H3/b11-6+
InChIKey
QVZGKUBQTJBLKI-IZZDOVSWSA-N
Compound name
(NE)-N-[(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

211.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 142.2
[M+Na]+ 234.07368 151.2
[M-H]- 210.07718 146.7
[M+NH4]+ 229.11828 161.4
[M+K]+ 250.04762 150.7
[M+H-H2O]+ 194.08172 136.0
[M+HCOO]- 256.08266 168.6
[M+CH3COO]- 270.09831 189.4
[M+Na-2H]- 232.05913 148.2
[M]+ 211.08391 147.9
[M]- 211.08501 147.9
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