CID 598402

35175-14-5

Structural Information

Molecular Formula

C₇H₁₁N₃O₃

SMILES

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

InChI

InChI=1S/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3

InChIKey

DTHPMNDYKOSVFR-UHFFFAOYSA-N

Compound name

2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 185.08005 Da
Monoisotopic Mass: -0.5
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]+	186.08733	135.7
[M+Na]+	208.06927	146.5
[M+NH4]+	203.11387	141.9
[M+K]+	224.04321	147.8
[M-H]-	184.07277	135.4
[M+Na-2H]-	206.05472	139.5
[M]+	185.07950	136.8
[M]-	185.08060	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe