CID 10777405

Tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCC=O
InChI
InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h11-12H,4-10H2,1-3H3
InChIKey
HEXRGZVOCHOEAE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

255.18344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 163.1
[M+Na]+ 278.172658 167.1
[M-H]- 254.176164 164.0
[M+NH4]+ 273.217263 178.9
[M+K]+ 294.146598 165.9
[M+H-H2O]+ 238.180700 156.5
[M+HCOO]- 300.181641 178.9
[M+CH3COO]- 314.197291 194.8
[M+Na-2H]- 276.158106 164.7
[M]+ 255.18289142 163.1
[M]- 255.18398858 163.1
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