CID 202481

Kin 806

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CN(C)C(=O)CN1C=CN=C1[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O3/c1-9(2)6(12)5-10-4-3-8-7(10)11(13)14/h3-4H,5H2,1-2H3
InChIKey
NXUUXBZRCPNIBU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

5
Patents

198.07529 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 139.3
[M+Na]+ 221.06451 146.4
[M-H]- 197.06801 142.3
[M+NH4]+ 216.10911 157.2
[M+K]+ 237.03845 143.0
[M+H-H2O]+ 181.07255 136.3
[M+HCOO]- 243.07349 164.8
[M+CH3COO]- 257.08914 182.5
[M+Na-2H]- 219.04996 145.9
[M]+ 198.07474 139.6
[M]- 198.07584 139.6
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.