CID 10400987

4-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}butanoic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)O
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-7-11(8-10-15)5-4-6-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKey
OAFRZYWOCMCWMM-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

271.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 165.9
[M+Na]+ 294.167558 169.2
[M-H]- 270.171064 165.5
[M+NH4]+ 289.212163 180.2
[M+K]+ 310.141498 168.2
[M+H-H2O]+ 254.175600 159.6
[M+HCOO]- 316.176541 179.5
[M+CH3COO]- 330.192191 195.2
[M+Na-2H]- 292.153006 166.1
[M]+ 271.17779142 164.9
[M]- 271.17888858 164.9
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