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

160
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 133.1
[M+Na]+ 162.12532 138.6
[M-H]- 138.12882 133.4
[M+NH4]+ 157.16992 152.9
[M+K]+ 178.09926 136.7
[M+H-H2O]+ 122.13336 127.7
[M+HCOO]- 184.13430 150.5
[M+CH3COO]- 198.14995 171.7
[M+Na-2H]- 160.11077 139.5
[M]+ 139.13555 128.3
[M]- 139.13665 128.3
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