CID 10964560

4-hydroxy-3-methylbenzonitrile

Structural Information

Molecular Formula
C8H7NO
SMILES
CC1=C(C=CC(=C1)C#N)O
InChI
InChI=1S/C8H7NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,10H,1H3
InChIKey
WTTADDGUHFYGEH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

133.05276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 126.1
[M+Na]+ 156.04198 139.0
[M+NH4]+ 151.08658 131.6
[M+K]+ 172.01592 129.9
[M-H]- 132.04548 121.1
[M+Na-2H]- 154.02743 130.9
[M]+ 133.05221 125.7
[M]- 133.05331 125.7
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