CID 308741

4-hydroxy-2-methylbenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
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

literature stripe

Patent stripe

patents stripe