CID 24954

1-ethyl-2-nitrobenzimidazole

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CCN1C2=CC=CC=C2N=C1[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c1-2-11-8-6-4-3-5-7(8)10-9(11)12(13)14/h3-6H,2H2,1H3
InChIKey
XMHNVBWYMIMXMY-UHFFFAOYSA-N
Compound name
1-ethyl-2-nitrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 136.8
[M+Na]+ 214.05869 146.9
[M-H]- 190.06219 139.8
[M+NH4]+ 209.10329 156.2
[M+K]+ 230.03263 140.3
[M+H-H2O]+ 174.06673 134.4
[M+HCOO]- 236.06767 162.0
[M+CH3COO]- 250.08332 177.5
[M+Na-2H]- 212.04414 146.8
[M]+ 191.06892 138.1
[M]- 191.07002 138.1
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

No patent data available for this compound.