CID 18670577

Tert-butyl 4-(3-oxocyclobutyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CC(=O)C2
InChI
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-6-4-10(5-7-15)11-8-12(16)9-11/h10-11H,4-9H2,1-3H3
InChIKey
VXCYENMCYBPOJH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-oxocyclobutyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

253.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 158.2
[M+Na]+ 276.157018 161.2
[M-H]- 252.160524 162.3
[M+NH4]+ 271.201623 167.5
[M+K]+ 292.130958 163.3
[M+H-H2O]+ 236.165060 146.3
[M+HCOO]- 298.166001 172.2
[M+CH3COO]- 312.181651 197.2
[M+Na-2H]- 274.142466 158.8
[M]+ 253.16725142 164.2
[M]- 253.16834858 164.2
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