CID 165486807

1-[(tert-butoxy)carbonyl]-4-(oxolan-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCO2)C(=O)O
InChI
InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-8-6-15(7-9-16,12(17)18)11-5-4-10-20-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
KIFCXLGDYBHWLU-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(oxolan-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.180556 170.0
[M+Na]+ 322.162498 172.8
[M-H]- 298.166004 173.4
[M+NH4]+ 317.207103 185.1
[M+K]+ 338.136438 173.3
[M+H-H2O]+ 282.170540 164.5
[M+HCOO]- 344.171481 181.8
[M+CH3COO]- 358.187131 196.6
[M+Na-2H]- 320.147946 170.5
[M]+ 299.17273142 167.1
[M]- 299.17382858 167.1
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

No patent data available for this compound.