CID 79181

Imidazole, 1,4-dimethyl-2-nitro-

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CC1=CN(C(=N1)[N+](=O)[O-])C
InChI
InChI=1S/C5H7N3O2/c1-4-3-7(2)5(6-4)8(9)10/h3H,1-2H3
InChIKey
ISFBTZLEOKKUDX-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 124.8
[M+Na]+ 164.04305 137.3
[M+NH4]+ 159.08765 132.4
[M+K]+ 180.01699 136.9
[M-H]- 140.04655 126.2
[M+Na-2H]- 162.02850 130.1
[M]+ 141.05328 126.7
[M]- 141.05438 126.7
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

No patent data available for this compound.