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 132.2
[M+Na]+ 186.05254 143.8
[M-H]- 162.05604 135.3
[M+NH4]+ 181.09714 151.0
[M+K]+ 202.02648 141.3
[M+H-H2O]+ 146.06058 120.9
[M+HCOO]- 208.06152 152.3
[M+CH3COO]- 222.07717 190.0
[M+Na-2H]- 184.03799 137.6
[M]+ 163.06277 129.1
[M]- 163.06387 129.1
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