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 134.5
[M-H]- 140.04655 126.8
[M+NH4]+ 159.08765 145.2
[M+K]+ 180.01699 130.0
[M+H-H2O]+ 124.05109 123.1
[M+HCOO]- 186.05203 150.0
[M+CH3COO]- 200.06768 168.3
[M+Na-2H]- 162.02850 132.8
[M]+ 141.05328 124.3
[M]- 141.05438 124.3
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