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

93
Patents

241.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 156.1
[M+Na]+ 264.15702 161.3
[M-H]- 240.16052 157.8
[M+NH4]+ 259.20162 174.6
[M+K]+ 280.13096 161.3
[M+H-H2O]+ 224.16506 151.1
[M+HCOO]- 286.16600 171.4
[M+CH3COO]- 300.18165 192.2
[M+Na-2H]- 262.14247 158.7
[M]+ 241.16725 155.6
[M]- 241.16835 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