CID 595193

1-ethyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C9H11N3
SMILES
CCN1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)
InChIKey
AQOCOHSUICOLQL-UHFFFAOYSA-N
Compound name
1-ethylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

51
Patents

161.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 131.8
[M+Na]+ 184.084508 142.8
[M-H]- 160.088014 134.2
[M+NH4]+ 179.129113 152.9
[M+K]+ 200.058448 139.3
[M+H-H2O]+ 144.092550 124.8
[M+HCOO]- 206.093491 156.4
[M+CH3COO]- 220.109141 146.2
[M+Na-2H]- 182.069956 139.6
[M]+ 161.09474142 132.9
[M]- 161.09583858 132.9
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