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]+ 254.17508 161.8
[M+Na]+ 276.15702 162.6
[M-H]- 252.16052 165.2
[M+NH4]+ 271.20162 178.6
[M+K]+ 292.13096 160.4
[M+H-H2O]+ 236.16506 155.0
[M+HCOO]- 298.16600 178.1
[M+CH3COO]- 312.18165 192.9
[M+Na-2H]- 274.14247 159.4
[M]+ 253.16725 153.7
[M]- 253.16835 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.