CID 3021101

86219-77-4

Structural Information

Molecular Formula
C13H17NO
SMILES
CN1CC=C(C(C1)CO)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-14-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-7,12,15H,8-10H2,1H3
InChIKey
XEKJYZSYCTXLJX-UHFFFAOYSA-N
Compound name
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.2
[M+Na]+ 226.120228 152.7
[M-H]- 202.123734 149.9
[M+NH4]+ 221.164833 163.3
[M+K]+ 242.094168 148.9
[M+H-H2O]+ 186.128270 138.7
[M+HCOO]- 248.129211 165.5
[M+CH3COO]- 262.144861 184.0
[M+Na-2H]- 224.105676 151.0
[M]+ 203.13046142 142.9
[M]- 203.13155858 142.9
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