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

6
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

literature stripe

Patent stripe

patents stripe