CID 46318385

1217863-02-9

Structural Information

Molecular Formula
C14H25NO4
SMILES
CCCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5-10H2,1-4H3,(H,16,17)
InChIKey
XGKHJZQIVNPLSM-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 164.6
[M+Na]+ 294.167558 168.8
[M-H]- 270.171064 164.6
[M+NH4]+ 289.212163 181.0
[M+K]+ 310.141498 168.3
[M+H-H2O]+ 254.175600 159.5
[M+HCOO]- 316.176541 178.2
[M+CH3COO]- 330.192191 194.8
[M+Na-2H]- 292.153006 166.3
[M]+ 271.17779142 164.0
[M]- 271.17888858 164.0
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