CID 14388656

2-hydroxy-4-methylbenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

133.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 126.4
[M+Na]+ 156.041978 137.7
[M-H]- 132.045484 129.3
[M+NH4]+ 151.086583 146.0
[M+K]+ 172.015918 134.7
[M+H-H2O]+ 116.050020 115.3
[M+HCOO]- 178.050961 146.5
[M+CH3COO]- 192.066611 184.4
[M+Na-2H]- 154.027426 132.9
[M]+ 133.05221142 121.3
[M]- 133.05330858 121.3
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