CID 86063

16773-52-7

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CC1=NC=C(N1CC2CO2)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O3/c1-5-8-2-7(10(11)12)9(5)3-6-4-13-6/h2,6H,3-4H2,1H3
InChIKey
NLXRQOREXATYEE-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1-(oxiran-2-ylmethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

183.06439 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 136.9
[M+Na]+ 206.053608 147.5
[M-H]- 182.057114 143.1
[M+NH4]+ 201.098213 149.4
[M+K]+ 222.027548 141.6
[M+H-H2O]+ 166.061650 134.0
[M+HCOO]- 228.062591 160.7
[M+CH3COO]- 242.078241 178.6
[M+Na-2H]- 204.039056 144.9
[M]+ 183.06384142 139.9
[M]- 183.06493858 139.9
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