CID 77230647

4-hydroxy-2-methoxy-6-methylbenzonitrile

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=CC(=CC(=C1C#N)OC)O
InChI
InChI=1S/C9H9NO2/c1-6-3-7(11)4-9(12-2)8(6)5-10/h3-4,11H,1-2H3
InChIKey
QFHZPADMMRXYTL-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methoxy-6-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.8
[M+Na]+ 186.05254 144.4
[M+NH4]+ 181.09714 136.6
[M+K]+ 202.02648 135.8
[M-H]- 162.05604 126.3
[M+Na-2H]- 184.03799 135.8
[M]+ 163.06277 131.2
[M]- 163.06387 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe