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

12
Patents

297.194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.201276 172.8
[M+Na]+ 320.183218 175.1
[M-H]- 296.186724 175.3
[M+NH4]+ 315.227823 189.2
[M+K]+ 336.157158 173.9
[M+H-H2O]+ 280.191260 167.0
[M+HCOO]- 342.192201 184.9
[M+CH3COO]- 356.207851 197.2
[M+Na-2H]- 318.168666 171.6
[M]+ 297.19345142 168.1
[M]- 297.19454858 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