CID 596725

5-morpholino-2-nitroaniline

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

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

InChI

InChI=1S/C10H13N3O3/c11-9-7-8(1-2-10(9)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6,11H2

InChIKey

HBBXESCZZLQWHM-UHFFFAOYSA-N

Compound name

5-morpholin-4-yl-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 325
Patents: 223.09569 Da
Monoisotopic Mass: 1.0
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]+	224.102966	146.8
[M+Na]+	246.084908	151.5
[M-H]-	222.088414	151.9
[M+NH4]+	241.129513	160.6
[M+K]+	262.058848	146.2
[M+H-H2O]+	206.092950	143.1
[M+HCOO]-	268.093891	167.7
[M+CH3COO]-	282.109541	183.6
[M+Na-2H]-	244.070356	154.2
[M]+	223.09514142	140.6
[M]-	223.09623858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe