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]+ 272.18562 165.9
[M+Na]+ 294.16756 169.2
[M-H]- 270.17106 165.5
[M+NH4]+ 289.21216 180.2
[M+K]+ 310.14150 168.2
[M+H-H2O]+ 254.17560 159.6
[M+HCOO]- 316.17654 179.5
[M+CH3COO]- 330.19219 195.2
[M+Na-2H]- 292.15301 166.1
[M]+ 271.17779 164.9
[M]- 271.17889 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