CID 59527883

1246390-08-8

Structural Information

Molecular Formula
C16H27NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCC2)C(=O)O
InChI
InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-8-16(9-11-17,13(18)19)12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKey
CBDGZASONRZPOP-UHFFFAOYSA-N
Compound name
4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

297.194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20128 172.8
[M+Na]+ 320.18322 175.1
[M-H]- 296.18672 175.3
[M+NH4]+ 315.22782 189.2
[M+K]+ 336.15716 173.9
[M+H-H2O]+ 280.19126 167.0
[M+HCOO]- 342.19220 184.9
[M+CH3COO]- 356.20785 197.2
[M+Na-2H]- 318.16867 171.6
[M]+ 297.19345 168.1
[M]- 297.19455 168.1
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

patents stripe