CID 63125842

Tert-butyl 4-ethylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCC1(CCNCC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO2/c1-5-12(6-8-13-9-7-12)10(14)15-11(2,3)4/h13H,5-9H2,1-4H3
InChIKey
JKFYHIXRVASDDF-UHFFFAOYSA-N
Compound name
tert-butyl 4-ethylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 153.0
[M+Na]+ 236.162098 157.1
[M-H]- 212.165604 152.8
[M+NH4]+ 231.206703 171.6
[M+K]+ 252.136038 155.9
[M+H-H2O]+ 196.170140 147.8
[M+HCOO]- 258.171081 167.5
[M+CH3COO]- 272.186731 184.0
[M+Na-2H]- 234.147546 157.0
[M]+ 213.17233142 149.6
[M]- 213.17342858 149.6
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