CID 4401494

3,6-dihydro-4-phenyl-2h-pyridine-1-ethanol hydrochloride

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCO
InChI
InChI=1S/C13H17NO/c15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-6,15H,7-11H2
InChIKey
PLCDPSWDOGWXTI-UHFFFAOYSA-N
Compound name
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

203.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.3
[M+Na]+ 226.120228 151.8
[M-H]- 202.123734 149.5
[M+NH4]+ 221.164833 163.0
[M+K]+ 242.094168 148.0
[M+H-H2O]+ 186.128270 138.5
[M+HCOO]- 248.129211 165.6
[M+CH3COO]- 262.144861 182.9
[M+Na-2H]- 224.105676 151.8
[M]+ 203.13046142 142.6
[M]- 203.13155858 142.6
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