CID 47003024

4-(2-cyclopentylacetamido)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H23NO3
SMILES
C1CCC(C1)CC(=O)NC2CCC(CC2)C(=O)O
InChI
InChI=1S/C14H23NO3/c16-13(9-10-3-1-2-4-10)15-12-7-5-11(6-8-12)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKey
ZQTOWMUIHYMGML-UHFFFAOYSA-N
Compound name
4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.8
[M+Na]+ 276.157018 162.6
[M-H]- 252.160524 165.2
[M+NH4]+ 271.201623 178.6
[M+K]+ 292.130958 160.4
[M+H-H2O]+ 236.165060 155.0
[M+HCOO]- 298.166001 178.1
[M+CH3COO]- 312.181651 192.9
[M+Na-2H]- 274.142466 159.4
[M]+ 253.16725142 153.7
[M]- 253.16834858 153.7
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.