CID 211812

23585-78-6

Structural Information

Molecular Formula
C9H14N4O3
SMILES
CCC1=CN=C(N1CC(=O)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C9H14N4O3/c1-4-7-5-10-9(13(15)16)12(7)6-8(14)11(2)3/h5H,4,6H2,1-3H3
InChIKey
DUKQUQCVLXBEPC-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-nitroimidazol-1-yl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.1066 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11388 148.5
[M+Na]+ 249.09582 155.7
[M-H]- 225.09932 151.6
[M+NH4]+ 244.14042 165.6
[M+K]+ 265.06976 151.7
[M+H-H2O]+ 209.10386 145.5
[M+HCOO]- 271.10480 173.4
[M+CH3COO]- 285.12045 189.7
[M+Na-2H]- 247.08127 153.4
[M]+ 226.10605 149.8
[M]- 226.10715 149.8
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.