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]+ 268.190716 164.9
[M+Na]+ 290.172658 164.4
[M-H]- 266.176164 167.7
[M+NH4]+ 285.217263 179.2
[M+K]+ 306.146598 162.1
[M+H-H2O]+ 250.180700 157.5
[M+HCOO]- 312.181641 178.7
[M+CH3COO]- 326.197291 196.5
[M+Na-2H]- 288.158106 163.3
[M]+ 267.18289142 155.1
[M]- 267.18398858 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.