CID 59668979

Tert-butyl 4-(2-methylpropanoyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO3/c1-10(2)12(16)11-6-8-15(9-7-11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKey
FCFPFCJREPENGZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-methylpropanoyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

255.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 161.3
[M+Na]+ 278.17266 165.0
[M-H]- 254.17616 162.5
[M+NH4]+ 273.21726 177.1
[M+K]+ 294.14660 164.8
[M+H-H2O]+ 238.18070 155.2
[M+HCOO]- 300.18164 175.2
[M+CH3COO]- 314.19729 196.6
[M+Na-2H]- 276.15811 160.8
[M]+ 255.18289 160.2
[M]- 255.18399 160.2
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