CID 82179

7724-48-3

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC2=NC3=CC=CC=C3N2C1
InChI
InChI=1S/C10H10N2/c1-2-5-9-8(4-1)11-10-6-3-7-12(9)10/h1-2,4-5H,3,6-7H2
InChIKey
RUFZNDNBXKOZQV-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3010
Patents

158.0844 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 130.7
[M+Na]+ 181.073618 141.5
[M-H]- 157.077124 134.2
[M+NH4]+ 176.118223 154.8
[M+K]+ 197.047558 138.1
[M+H-H2O]+ 141.081660 124.1
[M+HCOO]- 203.082601 153.8
[M+CH3COO]- 217.098251 145.4
[M+Na-2H]- 179.059066 138.0
[M]+ 158.08385142 131.7
[M]- 158.08494858 131.7
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