CID 15278630

6-methoxy-5-nitro-1h-indazole

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

COC1=C(C=C2C=NNC2=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O3/c1-14-8-3-6-5(4-9-10-6)2-7(8)11(12)13/h2-4H,1H3,(H,9,10)

InChIKey

QULAONDBWZZTOI-UHFFFAOYSA-N

Compound name

6-methoxy-5-nitro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 193.04874 Da
Monoisotopic Mass: 1.4
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]+	194.05602	134.7
[M+Na]+	216.03796	148.5
[M+NH4]+	211.08256	142.3
[M+K]+	232.01190	147.6
[M-H]-	192.04146	136.4
[M+Na-2H]-	214.02341	140.7
[M]+	193.04819	136.9
[M]-	193.04929	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe