CID 3103777

4-(2,4,6-trinitrophenyl)morpholine

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₇

SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O7/c15-12(16)7-5-8(13(17)18)10(9(6-7)14(19)20)11-1-3-21-4-2-11/h5-6H,1-4H2

InChIKey

CPZXPDQTMDRNBY-UHFFFAOYSA-N

Compound name

4-(2,4,6-trinitrophenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.05496 Da
Monoisotopic Mass: 1.2
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]+	299.062236	166.6
[M+Na]+	321.044178	168.6
[M-H]-	297.047684	171.6
[M+NH4]+	316.088783	174.6
[M+K]+	337.018118	156.2
[M+H-H2O]+	281.052220	170.3
[M+HCOO]-	343.053161	186.4
[M+CH3COO]-	357.068811	187.7
[M+Na-2H]-	319.029626	176.4
[M]+	298.05441142	159.1
[M]-	298.05550858	159.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.