CID 32366

2-tert-butyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(C)(C)C1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H14N2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)
InChIKey
ZQWHWRQRGKZTSE-UHFFFAOYSA-N
Compound name
2-tert-butyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

725
Patents

174.11569 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 139.1
[M+Na]+ 197.10491 149.3
[M-H]- 173.10841 140.4
[M+NH4]+ 192.14951 159.6
[M+K]+ 213.07885 145.4
[M+H-H2O]+ 157.11295 133.0
[M+HCOO]- 219.11389 159.5
[M+CH3COO]- 233.12954 178.1
[M+Na-2H]- 195.09036 147.3
[M]+ 174.11514 139.8
[M]- 174.11624 139.8
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