CID 20393908

4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H15NO
SMILES
COC1=CC=CC(=C1)C2=CCNCC2
InChI
InChI=1S/C12H15NO/c1-14-12-4-2-3-11(9-12)10-5-7-13-8-6-10/h2-5,9,13H,6-8H2,1H3
InChIKey
ALCDWWMOJJWJGW-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.7
[M+Na]+ 212.10459 147.7
[M-H]- 188.10809 145.2
[M+NH4]+ 207.14919 159.1
[M+K]+ 228.07853 144.1
[M+H-H2O]+ 172.11263 134.2
[M+HCOO]- 234.11357 161.4
[M+CH3COO]- 248.12922 179.8
[M+Na-2H]- 210.09004 147.8
[M]+ 189.11482 137.7
[M]- 189.11592 137.7
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

patents stripe