CID 139594913

Ns00078483

Structural Information

Molecular Formula
C13H15NO
SMILES
CC(C1C=CC=CN1)(C2=CC=CC=C2)O
InChI
InChI=1S/C13H15NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,12,14-15H,1H3
InChIKey
KBULUPLHKGVAIZ-UHFFFAOYSA-N
Compound name
1-(1,2-dihydropyridin-2-yl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 145.6
[M+Na]+ 224.104588 151.2
[M-H]- 200.108094 147.7
[M+NH4]+ 219.149193 161.5
[M+K]+ 240.078528 146.7
[M+H-H2O]+ 184.112630 138.6
[M+HCOO]- 246.113571 163.2
[M+CH3COO]- 260.129221 179.2
[M+Na-2H]- 222.090036 153.0
[M]+ 201.11482142 140.6
[M]- 201.11591858 140.6
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.