CID 62802784

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

Structural Information

Molecular Formula
C13H17N
SMILES
CC1=C(C(=CC=C1)C2=CCNCC2)C
InChI
InChI=1S/C13H17N/c1-10-4-3-5-13(11(10)2)12-6-8-14-9-7-12/h3-6,14H,7-9H2,1-2H3
InChIKey
OVNZOEIBGAAULD-UHFFFAOYSA-N
Compound name
4-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

187.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.7
[M+Na]+ 210.12532 149.3
[M-H]- 186.12882 146.4
[M+NH4]+ 205.16992 160.5
[M+K]+ 226.09926 145.0
[M+H-H2O]+ 170.13336 135.5
[M+HCOO]- 232.13430 161.8
[M+CH3COO]- 246.14995 181.9
[M+Na-2H]- 208.11077 147.6
[M]+ 187.13555 138.0
[M]- 187.13665 138.0
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