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

47
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 141.7
[M+Na]+ 212.104588 147.7
[M-H]- 188.108094 145.2
[M+NH4]+ 207.149193 159.1
[M+K]+ 228.078528 144.1
[M+H-H2O]+ 172.112630 134.2
[M+HCOO]- 234.113571 161.4
[M+CH3COO]- 248.129221 179.8
[M+Na-2H]- 210.090036 147.8
[M]+ 189.11482142 137.7
[M]- 189.11591858 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