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

11
Patents

187.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 142.7
[M+Na]+ 210.125318 149.3
[M-H]- 186.128824 146.4
[M+NH4]+ 205.169923 160.5
[M+K]+ 226.099258 145.0
[M+H-H2O]+ 170.133360 135.5
[M+HCOO]- 232.134301 161.8
[M+CH3COO]- 246.149951 181.9
[M+Na-2H]- 208.110766 147.6
[M]+ 187.13555142 138.0
[M]- 187.13664858 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