CID 129635298

Morpholine nitrate

Structural Information

Molecular Formula

C₄H₈N₂O₄

SMILES

C1COC(CN1)O[N+](=O)[O-]

InChI

InChI=1S/C4H8N2O4/c7-6(8)10-4-3-5-1-2-9-4/h4-5H,1-3H2

InChIKey

CGQBFFAJXRLEFX-UHFFFAOYSA-N

Compound name

morpholin-2-yl nitrate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.0484 Da
Monoisotopic Mass: -0.1
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]+	149.055676	125.7
[M+Na]+	171.037618	130.5
[M-H]-	147.041124	126.7
[M+NH4]+	166.082223	142.3
[M+K]+	187.011558	127.5
[M+H-H2O]+	131.045660	124.1
[M+HCOO]-	193.046601	145.6
[M+CH3COO]-	207.062251	162.6
[M+Na-2H]-	169.023066	135.3
[M]+	148.04785142	120.5
[M]-	148.04894858	120.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.