CID 5231576

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

Structural Information

Molecular Formula
C6H11N
SMILES
CC1=CCNCC1
InChI
InChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3
InChIKey
IZGVOANXLNJMDM-UHFFFAOYSA-N
Compound name
4-methyl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

97.08915 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 119.3
[M+Na]+ 120.07837 131.3
[M+NH4]+ 115.12297 128.7
[M+K]+ 136.05231 124.7
[M-H]- 96.081874 121.1
[M+Na-2H]- 118.06382 126.0
[M]+ 97.088601 121.4
[M]- 97.089699 121.4
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