CID 22122

2-butyl-1h-benzimidazole

Structural Information

Molecular Formula
C11H14N2
SMILES
CCCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKey
HITWHALOZBMLHY-UHFFFAOYSA-N
Compound name
2-butyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

825
Patents

174.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 137.4
[M+Na]+ 197.10491 147.0
[M-H]- 173.10841 138.2
[M+NH4]+ 192.14951 157.6
[M+K]+ 213.07885 142.6
[M+H-H2O]+ 157.11295 130.4
[M+HCOO]- 219.11389 159.4
[M+CH3COO]- 233.12954 150.7
[M+Na-2H]- 195.09036 144.9
[M]+ 174.11514 138.6
[M]- 174.11624 138.6
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