CID 116560

64157-82-0

Structural Information

Molecular Formula

C₈H₁₃N₃O₃

SMILES

CC(C)(C1=CN=C(N1C)[N+](=O)[O-])OC

InChI

InChI=1S/C8H13N3O3/c1-8(2,14-4)6-5-9-7(10(6)3)11(12)13/h5H,1-4H3

InChIKey

VNTUXFDKBZQALW-UHFFFAOYSA-N

Compound name

5-(2-methoxypropan-2-yl)-1-methyl-2-nitroimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 199.09569 Da
Monoisotopic Mass: 1.0
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]+	200.10297	140.0
[M+Na]+	222.08491	151.1
[M+NH4]+	217.12951	146.3
[M+K]+	238.05885	151.9
[M-H]-	198.08841	140.2
[M+Na-2H]-	220.07036	144.1
[M]+	199.09514	141.3
[M]-	199.09624	141.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.