CID 5385347

7464-22-4

Structural Information

Molecular Formula
C10H10N2
SMILES
C/C=C/C1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H10N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h2-7H,1H3,(H,11,12)/b5-2+
InChIKey
LGWRNIXKHGASPF-GORDUTHDSA-N
Compound name
2-[(E)-prop-1-enyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.0844 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 132.0
[M+Na]+ 181.073618 142.5
[M-H]- 157.077124 133.0
[M+NH4]+ 176.118223 152.8
[M+K]+ 197.047558 137.7
[M+H-H2O]+ 141.081660 125.3
[M+HCOO]- 203.082601 154.5
[M+CH3COO]- 217.098251 145.8
[M+Na-2H]- 179.059066 140.1
[M]+ 158.08385142 132.1
[M]- 158.08494858 132.1
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