CID 129268

1-methyl-4-cyclohexyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H21N
SMILES
CN1CCC(=CC1)C2CCCCC2
InChI
InChI=1S/C12H21N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7,11H,2-6,8-10H2,1H3
InChIKey
CQIZBIFTOGBKDB-UHFFFAOYSA-N
Compound name
4-cyclohexyl-1-methyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

460
Patents

179.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 143.4
[M+Na]+ 202.156618 146.6
[M-H]- 178.160124 147.1
[M+NH4]+ 197.201223 161.6
[M+K]+ 218.130558 144.2
[M+H-H2O]+ 162.164660 135.6
[M+HCOO]- 224.165601 159.9
[M+CH3COO]- 238.181251 181.6
[M+Na-2H]- 200.142066 146.7
[M]+ 179.16685142 135.4
[M]- 179.16794858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe