CID 57100923

1782355-56-9

Structural Information

Molecular Formula
C14H25NO4
SMILES
CCC(C1CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-5-11(12(16)17)10-7-6-8-15(9-10)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKey
WWUIKQPHBJHIDZ-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 165.0
[M+Na]+ 294.167558 168.1
[M-H]- 270.171064 164.7
[M+NH4]+ 289.212163 179.3
[M+K]+ 310.141498 167.7
[M+H-H2O]+ 254.175600 158.9
[M+HCOO]- 316.176541 177.6
[M+CH3COO]- 330.192191 196.2
[M+Na-2H]- 292.153006 164.1
[M]+ 271.17779142 163.4
[M]- 271.17888858 163.4
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