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]+ 140.143376 133.1
[M+Na]+ 162.125318 138.6
[M-H]- 138.128824 133.4
[M+NH4]+ 157.169923 152.9
[M+K]+ 178.099258 136.7
[M+H-H2O]+ 122.133360 127.7
[M+HCOO]- 184.134301 150.5
[M+CH3COO]- 198.149951 171.7
[M+Na-2H]- 160.110766 139.5
[M]+ 139.13555142 128.3
[M]- 139.13664858 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