CID 116559

64157-78-4

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CC(=C)C1=CN=C(N1C)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O2/c1-5(2)6-4-8-7(9(6)3)10(11)12/h4H,1H2,2-3H3
InChIKey
WJJIYICPEUKHDG-UHFFFAOYSA-N
Compound name
1-methyl-2-nitro-5-prop-1-en-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

167.06947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 133.0
[M+Na]+ 190.058688 141.9
[M-H]- 166.062194 134.9
[M+NH4]+ 185.103293 152.2
[M+K]+ 206.032628 136.7
[M+H-H2O]+ 150.066730 131.1
[M+HCOO]- 212.067671 156.8
[M+CH3COO]- 226.083321 174.0
[M+Na-2H]- 188.044136 138.8
[M]+ 167.06892142 131.9
[M]- 167.07001858 131.9
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

No patent data available for this compound.