CID 21519703

4-tert-butyl-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
CC(C)(C)C1=CCNCC1
InChI
InChI=1S/C9H17N/c1-9(2,3)8-4-6-10-7-5-8/h4,10H,5-7H2,1-3H3
InChIKey
XNTFFUPDYBDWCU-UHFFFAOYSA-N
Compound name
4-tert-butyl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

139.1361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 132.9
[M+Na]+ 162.12532 144.1
[M+NH4]+ 157.16992 141.7
[M+K]+ 178.09926 138.1
[M-H]- 138.12882 134.0
[M+Na-2H]- 160.11077 138.8
[M]+ 139.13555 134.8
[M]- 139.13665 134.8
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

patents stripe