CID 21572331

4-cyclopentaneamidocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C13H21NO3
SMILES
C1CCC(C1)C(=O)NC2CCC(CC2)C(=O)O
InChI
InChI=1S/C13H21NO3/c15-12(9-3-1-2-4-9)14-11-7-5-10(6-8-11)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKey
NNXYDJWKJMGXKS-UHFFFAOYSA-N
Compound name
4-(cyclopentanecarbonylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 157.3
[M+Na]+ 262.14137 158.6
[M-H]- 238.14487 160.9
[M+NH4]+ 257.18597 174.7
[M+K]+ 278.11531 156.6
[M+H-H2O]+ 222.14941 150.7
[M+HCOO]- 284.15035 174.0
[M+CH3COO]- 298.16600 189.9
[M+Na-2H]- 260.12682 155.4
[M]+ 239.15160 148.9
[M]- 239.15270 148.9
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.