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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.08257	138.9
[M+Na]+	221.06451	148.8
[M+NH4]+	216.10911	144.9
[M+K]+	237.03845	150.0
[M-H]-	197.06801	139.8
[M+Na-2H]-	219.04996	143.0
[M]+	198.07474	140.0
[M]-	198.07584	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe