CID 57741706

Tert-butyl 4-acetyl-4-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO3/c1-10(15)13(5)6-8-14(9-7-13)11(16)17-12(2,3)4/h6-9H2,1-5H3
InChIKey
YBYYACQGRIOADW-UHFFFAOYSA-N
Compound name
tert-butyl 4-acetyl-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

241.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.175076 156.1
[M+Na]+ 264.157018 161.3
[M-H]- 240.160524 157.8
[M+NH4]+ 259.201623 174.6
[M+K]+ 280.130958 161.3
[M+H-H2O]+ 224.165060 151.1
[M+HCOO]- 286.166001 171.4
[M+CH3COO]- 300.181651 192.2
[M+Na-2H]- 262.142466 158.7
[M]+ 241.16725142 155.6
[M]- 241.16834858 155.6
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