CID 10997188

4,5-dimethyl-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
CC1=C(CNCC1)C
InChI
InChI=1S/C7H13N/c1-6-3-4-8-5-7(6)2/h8H,3-5H2,1-2H3
InChIKey
VRKGEWIQYFKDEJ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

111.1048 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 123.3
[M+Na]+ 134.094018 130.1
[M-H]- 110.097524 124.0
[M+NH4]+ 129.138623 144.3
[M+K]+ 150.067958 128.3
[M+H-H2O]+ 94.102060 117.8
[M+HCOO]- 156.103001 142.8
[M+CH3COO]- 170.118651 167.1
[M+Na-2H]- 132.079466 129.5
[M]+ 111.10425142 118.6
[M]- 111.10534858 118.6
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