CID 22616094

3-hydroxy-2-methylbenzonitrile

Structural Information

Molecular Formula
C8H7NO
SMILES
CC1=C(C=CC=C1O)C#N
InChI
InChI=1S/C8H7NO/c1-6-7(5-9)3-2-4-8(6)10/h2-4,10H,1H3
InChIKey
BQAMEYNBQIHQPO-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

133.05276 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 126.4
[M+Na]+ 156.04198 137.7
[M-H]- 132.04548 129.3
[M+NH4]+ 151.08658 146.0
[M+K]+ 172.01592 134.7
[M+H-H2O]+ 116.05002 115.3
[M+HCOO]- 178.05096 146.5
[M+CH3COO]- 192.06661 184.4
[M+Na-2H]- 154.02743 132.9
[M]+ 133.05221 121.3
[M]- 133.05331 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