CID 720241

31659-42-4

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1CN=C(N1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6H,4-5H2,(H,10,11)
InChIKey
YSCJJOXSVFNSPY-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

191.06947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 137.9
[M+Na]+ 214.05869 144.5
[M-H]- 190.06219 140.9
[M+NH4]+ 209.10329 154.6
[M+K]+ 230.03263 137.4
[M+H-H2O]+ 174.06673 134.6
[M+HCOO]- 236.06767 160.3
[M+CH3COO]- 250.08332 172.4
[M+Na-2H]- 212.04414 145.5
[M]+ 191.06892 132.8
[M]- 191.07002 132.8
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