CID 1084419

2-cyclopropyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC1C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C10H10N2/c1-2-4-9-8(3-1)11-10(12-9)7-5-6-7/h1-4,7H,5-6H2,(H,11,12)
InChIKey
ACQZKAMBZDAMRZ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

106
Patents

158.0844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 134.5
[M+Na]+ 181.073618 146.4
[M-H]- 157.077124 139.3
[M+NH4]+ 176.118223 150.2
[M+K]+ 197.047558 141.0
[M+H-H2O]+ 141.081660 127.2
[M+HCOO]- 203.082601 157.2
[M+CH3COO]- 217.098251 148.0
[M+Na-2H]- 179.059066 142.4
[M]+ 158.08385142 136.1
[M]- 158.08494858 136.1
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