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

108
Patents

223.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 158.0
[M+Na]+ 246.088938 167.6
[M-H]- 222.092444 162.3
[M+NH4]+ 241.133543 173.5
[M+K]+ 262.062878 161.6
[M+H-H2O]+ 206.096980 145.0
[M+HCOO]- 268.097921 175.6
[M+CH3COO]- 282.113571 198.8
[M+Na-2H]- 244.074386 163.6
[M]+ 223.09917142 151.6
[M]- 223.10026858 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

literature stripe

Patent stripe

patents stripe