CID 3011563

2,5-dicyclohexyl-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C16H24N2O2
SMILES
C1CCC(CC1)C2=C(N=C(N2)C3CCCCC3)C(=O)O
InChI
InChI=1S/C16H24N2O2/c19-16(20)14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,17,18)(H,19,20)
InChIKey
GJVKLWOWZFZMLD-UHFFFAOYSA-N
Compound name
2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 168.0
[M+Na]+ 299.17300 169.5
[M-H]- 275.17650 170.6
[M+NH4]+ 294.21760 180.6
[M+K]+ 315.14694 164.9
[M+H-H2O]+ 259.18104 158.8
[M+HCOO]- 321.18198 179.0
[M+CH3COO]- 335.19763 175.6
[M+Na-2H]- 297.15845 165.0
[M]+ 276.18323 157.0
[M]- 276.18433 157.0
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.