CID 47003034

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

Structural Information

Molecular Formula
C15H25NO3
SMILES
C1CCC(CC1)CC(=O)NC2CCC(CC2)C(=O)O
InChI
InChI=1S/C15H25NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKey
IJAIKLQYPUEBME-UHFFFAOYSA-N
Compound name
4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 164.9
[M+Na]+ 290.17266 164.4
[M-H]- 266.17616 167.7
[M+NH4]+ 285.21726 179.2
[M+K]+ 306.14660 162.1
[M+H-H2O]+ 250.18070 157.5
[M+HCOO]- 312.18164 178.7
[M+CH3COO]- 326.19729 196.5
[M+Na-2H]- 288.15811 163.3
[M]+ 267.18289 155.1
[M]- 267.18399 155.1
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

No patent data available for this compound.