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

1
Patents

271.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 164.6
[M+Na]+ 294.16756 168.8
[M-H]- 270.17106 164.6
[M+NH4]+ 289.21216 181.0
[M+K]+ 310.14150 168.3
[M+H-H2O]+ 254.17560 159.5
[M+HCOO]- 316.17654 178.2
[M+CH3COO]- 330.19219 194.8
[M+Na-2H]- 292.15301 166.3
[M]+ 271.17779 164.0
[M]- 271.17889 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