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]+ 259.144116 159.0
[M+Na]+ 281.126058 165.7
[M-H]- 257.129564 162.3
[M+NH4]+ 276.170663 174.9
[M+K]+ 297.099998 161.2
[M+H-H2O]+ 241.134100 150.5
[M+HCOO]- 303.135041 176.2
[M+CH3COO]- 317.150691 169.8
[M+Na-2H]- 279.111506 161.7
[M]+ 258.13629142 156.6
[M]- 258.13738858 156.6
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.