CID 100573

74141-72-3

Structural Information

Molecular Formula

C₉H₁₄N₄O₃

SMILES

C1COCCN1CCN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C9H14N4O3/c14-13(15)9-10-1-2-12(9)4-3-11-5-7-16-8-6-11/h1-2H,3-8H2

InChIKey

NAEIQHMISIYBGX-UHFFFAOYSA-N

Compound name

4-[2-(2-nitroimidazol-1-yl)ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 226.1066 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]+	227.113876	148.6
[M+Na]+	249.095818	153.4
[M-H]-	225.099324	151.3
[M+NH4]+	244.140423	161.6
[M+K]+	265.069758	148.9
[M+H-H2O]+	209.103860	143.8
[M+HCOO]-	271.104801	167.5
[M+CH3COO]-	285.120451	181.0
[M+Na-2H]-	247.081266	155.4
[M]+	226.10605142	144.7
[M]-	226.10714858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe