CID 14918502

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

Structural Information

Molecular Formula
C7H13N
SMILES
CC1CNCC(=C1)C
InChI
InChI=1S/C7H13N/c1-6-3-7(2)5-8-4-6/h3,6,8H,4-5H2,1-2H3
InChIKey
BTGJKEHAMBVEBR-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.1048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 123.3
[M+Na]+ 134.09402 130.1
[M-H]- 110.09752 124.0
[M+NH4]+ 129.13862 144.3
[M+K]+ 150.06796 128.3
[M+H-H2O]+ 94.102060 117.8
[M+HCOO]- 156.10300 142.8
[M+CH3COO]- 170.11865 167.1
[M+Na-2H]- 132.07947 129.5
[M]+ 111.10425 118.6
[M]- 111.10535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.