CID 3748656

2-(2-nitroethoxy)tetrahydropyran

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

C1CCOC(C1)OCC[N+](=O)[O-]

InChI

InChI=1S/C7H13NO4/c9-8(10)4-6-12-7-3-1-2-5-11-7/h7H,1-6H2

InChIKey

KQDXRRAVDLIMGM-UHFFFAOYSA-N

Compound name

2-(2-nitroethoxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 175.08446 Da
Monoisotopic Mass: 0.7
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]+	176.09174	135.0
[M+Na]+	198.07368	145.6
[M+NH4]+	193.11828	142.9
[M+K]+	214.04762	143.4
[M-H]-	174.07718	138.6
[M+Na-2H]-	196.05913	139.0
[M]+	175.08391	137.2
[M]-	175.08501	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe