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]+ 168.07675 133.0
[M+Na]+ 190.05869 141.9
[M-H]- 166.06219 134.9
[M+NH4]+ 185.10329 152.2
[M+K]+ 206.03263 136.7
[M+H-H2O]+ 150.06673 131.1
[M+HCOO]- 212.06767 156.8
[M+CH3COO]- 226.08332 174.0
[M+Na-2H]- 188.04414 138.8
[M]+ 167.06892 131.9
[M]- 167.07002 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.