CID 11310145

(1s)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C13H13NO
SMILES
C1=CC=C(C=C1)[C@H](CC2=CC=CC=N2)O
InChI
InChI=1S/C13H13NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9,13,15H,10H2/t13-/m0/s1
InChIKey
NPVKVVBMSCQGAS-ZDUSSCGKSA-N
Compound name
(1S)-1-phenyl-2-pyridin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 143.5
[M+Na]+ 222.08894 149.9
[M-H]- 198.09244 147.2
[M+NH4]+ 217.13354 160.2
[M+K]+ 238.06288 146.1
[M+H-H2O]+ 182.09698 135.8
[M+HCOO]- 244.09792 164.7
[M+CH3COO]- 258.11357 182.0
[M+Na-2H]- 220.07439 150.7
[M]+ 199.09917 141.7
[M]- 199.10027 141.7
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