CID 58091405

Tert-butyl 3-(3-oxopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCC=O
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-8-4-6-11(10-14)7-5-9-15/h9,11H,4-8,10H2,1-3H3
InChIKey
VYBQCRIOLLOMLS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-oxopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 158.5
[M+Na]+ 264.15702 163.0
[M-H]- 240.16052 159.7
[M+NH4]+ 259.20162 174.9
[M+K]+ 280.13096 162.0
[M+H-H2O]+ 224.16506 152.1
[M+HCOO]- 286.16600 174.7
[M+CH3COO]- 300.18165 191.8
[M+Na-2H]- 262.14247 160.7
[M]+ 241.16725 158.2
[M]- 241.16835 158.2
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