CID 266076

3-hydroxy-3,3-diphenylpropanenitrile

Structural Information

Molecular Formula
C15H13NO
SMILES
C1=CC=C(C=C1)C(CC#N)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H13NO/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11H2
InChIKey
OSGUMQGPGBZSGN-UHFFFAOYSA-N
Compound name
3-hydroxy-3,3-diphenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

223.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 158.2
[M+Na]+ 246.088938 167.0
[M-H]- 222.092444 162.1
[M+NH4]+ 241.133543 173.4
[M+K]+ 262.062878 160.8
[M+H-H2O]+ 206.096980 145.0
[M+HCOO]- 268.097921 175.8
[M+CH3COO]- 282.113571 197.8
[M+Na-2H]- 244.074386 164.5
[M]+ 223.09917142 151.5
[M]- 223.10026858 151.5
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