CID 78220

4-hydroxy-3-methoxyphenylacetonitrile

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC1=C(C=CC(=C1)CC#N)O
InChI
InChI=1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3
InChIKey
SDVYWMWQCJEYTC-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

158
Patents

163.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.1
[M+Na]+ 186.05254 145.3
[M+NH4]+ 181.09714 137.9
[M+K]+ 202.02648 136.4
[M-H]- 162.05604 127.5
[M+Na-2H]- 184.03799 137.1
[M]+ 163.06277 132.4
[M]- 163.06387 132.4
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