CID 10465102

Tert-butyl 1,2,3,4-tetrahydropyridine-1-carboxylate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)(C)OC(=O)N1CCCC=C1
InChI
InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3
InChIKey
VIBQTJLMJANION-UHFFFAOYSA-N
Compound name
tert-butyl 3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

183.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 142.2
[M+Na]+ 206.11515 147.8
[M-H]- 182.11865 143.9
[M+NH4]+ 201.15975 160.9
[M+K]+ 222.08909 147.5
[M+H-H2O]+ 166.12319 136.1
[M+HCOO]- 228.12413 160.4
[M+CH3COO]- 242.13978 180.0
[M+Na-2H]- 204.10060 147.5
[M]+ 183.12538 141.0
[M]- 183.12648 141.0
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