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

45
Patents

255.18344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 163.1
[M+Na]+ 278.17266 167.1
[M-H]- 254.17616 164.0
[M+NH4]+ 273.21726 178.9
[M+K]+ 294.14660 165.9
[M+H-H2O]+ 238.18070 156.5
[M+HCOO]- 300.18164 178.9
[M+CH3COO]- 314.19729 194.8
[M+Na-2H]- 276.15811 164.7
[M]+ 255.18289 163.1
[M]- 255.18399 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