CID 1480034

6-methyl-5-nitro-1h-indazole

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

CC1=CC2=C(C=C1[N+](=O)[O-])C=NN2

InChI

InChI=1S/C8H7N3O2/c1-5-2-7-6(4-9-10-7)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)

InChIKey

JNIDNZRLKGLAOP-UHFFFAOYSA-N

Compound name

6-methyl-5-nitro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 177.05383 Da
Monoisotopic Mass: 1.7
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]+	178.06111	131.5
[M+Na]+	200.04305	145.7
[M+NH4]+	195.08765	139.6
[M+K]+	216.01699	144.2
[M-H]-	176.04655	133.6
[M+Na-2H]-	198.02850	137.9
[M]+	177.05328	133.9
[M]-	177.05438	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe