CID 612990

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

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC1=C(C=C(C=C1)C2=CCNCC2)OC
InChI
InChI=1S/C13H17NO2/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10/h3-5,9,14H,6-8H2,1-2H3
InChIKey
LBRPLHNBPFDAHO-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

219.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.5
[M+Na]+ 242.115148 155.8
[M-H]- 218.118654 153.1
[M+NH4]+ 237.159753 165.8
[M+K]+ 258.089088 152.6
[M+H-H2O]+ 202.123190 141.7
[M+HCOO]- 264.124131 168.9
[M+CH3COO]- 278.139781 186.0
[M+Na-2H]- 240.100596 154.2
[M]+ 219.12538142 147.6
[M]- 219.12647858 147.6
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