CID 23506816

1-methyl-2-(4-nitrophenyl)-1h-imidazole

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CN1C=CN=C1C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O2/c1-12-7-6-11-10(12)8-2-4-9(5-3-8)13(14)15/h2-7H,1H3
InChIKey
RDCCHZDFNPOUQA-UHFFFAOYSA-N
Compound name
1-methyl-2-(4-nitrophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

203.06947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.1
[M+Na]+ 226.05869 149.7
[M-H]- 202.06219 146.1
[M+NH4]+ 221.10329 158.5
[M+K]+ 242.03263 143.0
[M+H-H2O]+ 186.06673 137.7
[M+HCOO]- 248.06767 166.1
[M+CH3COO]- 262.08332 179.0
[M+Na-2H]- 224.04414 148.9
[M]+ 203.06892 140.0
[M]- 203.07002 140.0
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