CID 93035

Glycidyl nitrate

Structural Information

Molecular Formula

SMILES

C1C(O1)CO[N+](=O)[O-]

InChI

InChI=1S/C3H5NO4/c5-4(6)8-2-3-1-7-3/h3H,1-2H2

InChIKey

ADZAAKGRMMGJKM-UHFFFAOYSA-N

Compound name

oxiran-2-ylmethyl nitrate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 759
Patents: 119.02186 Da
Monoisotopic Mass: 0.2
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]+	120.029136	116.4
[M+Na]+	142.011078	126.0
[M-H]-	118.014584	122.2
[M+NH4]+	137.055683	132.1
[M+K]+	157.985018	122.9
[M+H-H2O]+	102.019120	115.3
[M+HCOO]-	164.020061	142.1
[M+CH3COO]-	178.035711	166.0
[M+Na-2H]-	139.996526	127.6
[M]+	119.02131142	120.1
[M]-	119.02240858	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe