CID 513903

1-cyclohexylbenzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C(=O)O
InChI
InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)
InChIKey
VDTQDVBTYFQIPB-UHFFFAOYSA-N
Compound name
1-cyclohexylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

18
Patents

244.12119 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.5
[M+Na]+ 267.11041 161.6
[M-H]- 243.11391 157.9
[M+NH4]+ 262.15501 170.9
[M+K]+ 283.08435 157.3
[M+H-H2O]+ 227.11845 146.2
[M+HCOO]- 289.11939 172.0
[M+CH3COO]- 303.13504 165.6
[M+Na-2H]- 265.09586 157.7
[M]+ 244.12064 151.7
[M]- 244.12174 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe