CID 13781042

2-(3-hydroxyphenyl)acetonitrile

Structural Information

Molecular Formula
C8H7NO
SMILES
C1=CC(=CC(=C1)O)CC#N
InChI
InChI=1S/C8H7NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4H2
InChIKey
IEOUEWOHAFNQCO-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

133.05276 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 126.9
[M+Na]+ 156.041978 137.4
[M-H]- 132.045484 129.4
[M+NH4]+ 151.086583 146.3
[M+K]+ 172.015918 134.2
[M+H-H2O]+ 116.050020 115.5
[M+HCOO]- 178.050961 147.0
[M+CH3COO]- 192.066611 183.4
[M+Na-2H]- 154.027426 134.0
[M]+ 133.05221142 121.4
[M]- 133.05330858 121.4
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