CID 63134508

Tert-butyl 3-ethylpiperidine-3-carboxylate

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCC1(CCCNC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO2/c1-5-12(7-6-8-13-9-12)10(14)15-11(2,3)4/h13H,5-9H2,1-4H3
InChIKey
LVSWDCOLFFGHDR-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 153.0
[M+Na]+ 236.16210 157.1
[M-H]- 212.16560 152.8
[M+NH4]+ 231.20670 171.6
[M+K]+ 252.13604 155.9
[M+H-H2O]+ 196.17014 147.8
[M+HCOO]- 258.17108 167.5
[M+CH3COO]- 272.18673 184.0
[M+Na-2H]- 234.14755 157.0
[M]+ 213.17233 149.6
[M]- 213.17343 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

No patent data available for this compound.