CID 3051326

67400-26-4

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₃

SMILES

C1COCCN1C2=NNC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3/c16-15(17)8-1-2-10-9(7-8)11(13-12-10)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H,12,13)

InChIKey

CEIINSLSGDHDFQ-UHFFFAOYSA-N

Compound name

4-(5-nitro-1H-indazol-3-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 248.09094 Da
Monoisotopic Mass: 1.5
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]+	249.09822	150.0
[M+Na]+	271.08016	163.5
[M+NH4]+	266.12476	157.2
[M+K]+	287.05410	162.6
[M-H]-	247.08366	154.3
[M+Na-2H]-	269.06561	155.6
[M]+	248.09039	152.8
[M]-	248.09149	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe