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

86
Patents

111.1048 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 123.3
[M+Na]+ 134.09402 135.5
[M+NH4]+ 129.13862 132.6
[M+K]+ 150.06796 128.9
[M-H]- 110.09752 125.2
[M+Na-2H]- 132.07947 129.6
[M]+ 111.10425 125.5
[M]- 111.10535 125.5
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