CID 14381935

4-hydroxy-3,5-dimethoxybenzonitrile

Structural Information

Molecular Formula
C9H9NO3
SMILES
COC1=CC(=CC(=C1O)OC)C#N
InChI
InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3
InChIKey
JKPLQGXXESDJLY-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-dimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

179.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.4
[M+Na]+ 202.047458 145.8
[M-H]- 178.050964 137.4
[M+NH4]+ 197.092063 152.5
[M+K]+ 218.021398 143.9
[M+H-H2O]+ 162.055500 122.9
[M+HCOO]- 224.056441 154.7
[M+CH3COO]- 238.072091 191.9
[M+Na-2H]- 200.032906 139.8
[M]+ 179.05769142 132.6
[M]- 179.05878858 132.6
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