CID 13415805

2-(2-cyclohexyl-1h-1,3-benzodiazol-1-yl)acetic acid

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1CCC(CC1)C2=NC3=CC=CC=C3N2CC(=O)O
InChI
InChI=1S/C15H18N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19)
InChIKey
BNSIJHUQNGRVHE-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylbenzimidazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.5
[M+Na]+ 281.12606 171.9
[M+NH4]+ 276.17066 167.4
[M+K]+ 297.10000 167.1
[M-H]- 257.12956 161.9
[M+Na-2H]- 279.11151 165.4
[M]+ 258.13629 161.8
[M]- 258.13739 161.8
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.