CID 583438

2-(2-methylpropyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(C)CC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H14N2/c1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKey
ICSHJXKBLINVJB-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

174
Patents

174.11569 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 138.0
[M+Na]+ 197.10491 147.3
[M-H]- 173.10841 138.9
[M+NH4]+ 192.14951 158.1
[M+K]+ 213.07885 143.4
[M+H-H2O]+ 157.11295 131.1
[M+HCOO]- 219.11389 158.9
[M+CH3COO]- 233.12954 151.1
[M+Na-2H]- 195.09036 144.3
[M]+ 174.11514 138.5
[M]- 174.11624 138.5
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