CID 241679

5805-42-5

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CCC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c1-2-9-10-7-4-3-6(12(13)14)5-8(7)11-9/h3-5H,2H2,1H3,(H,10,11)
InChIKey
AAJAEEPAUQTYFB-UHFFFAOYSA-N
Compound name
2-ethyl-6-nitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

191.06947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 136.0
[M+Na]+ 214.05869 150.1
[M+NH4]+ 209.10329 144.1
[M+K]+ 230.03263 148.4
[M-H]- 190.06219 138.2
[M+Na-2H]- 212.04414 142.2
[M]+ 191.06892 138.4
[M]- 191.07002 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe