CID 688110

81104-52-1

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₄

SMILES

C1COCCN1CC(CN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C11H21N3O4/c15-14(16)11(9-12-1-5-17-6-2-12)10-13-3-7-18-8-4-13/h11H,1-10H2

InChIKey

HSZDKPZQCXWNRJ-UHFFFAOYSA-N

Compound name

4-(3-morpholin-4-yl-2-nitropropyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 259.1532 Da
Monoisotopic Mass: -0.6
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]+	260.16048	160.4
[M+Na]+	282.14242	160.3
[M-H]-	258.14592	163.2
[M+NH4]+	277.18702	169.5
[M+K]+	298.11636	157.6
[M+H-H2O]+	242.15046	155.3
[M+HCOO]-	304.15140	173.1
[M+CH3COO]-	318.16705	187.6
[M+Na-2H]-	280.12787	165.8
[M]+	259.15265	152.9
[M]-	259.15375	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe