CID 610331

4-(1-hydroxy-1-phenylethyl)benzonitrile

Structural Information

Molecular Formula
C15H13NO
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)C#N)O
InChI
InChI=1S/C15H13NO/c1-15(17,13-5-3-2-4-6-13)14-9-7-12(11-16)8-10-14/h2-10,17H,1H3
InChIKey
VYNZCOZPJMGVIF-UHFFFAOYSA-N
Compound name
4-(1-hydroxy-1-phenylethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

223.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 158.0
[M+Na]+ 246.08894 167.6
[M-H]- 222.09244 162.3
[M+NH4]+ 241.13354 173.5
[M+K]+ 262.06288 161.6
[M+H-H2O]+ 206.09698 145.0
[M+HCOO]- 268.09792 175.6
[M+CH3COO]- 282.11357 198.8
[M+Na-2H]- 244.07439 163.6
[M]+ 223.09917 151.6
[M]- 223.10027 151.6
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

No patent data available for this compound.