CID 93496

1-methyl-5-nitronaphthalene

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

CC1=C2C=CC=C(C2=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H9NO2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3

InChIKey

AOSRALZFDNFXFZ-UHFFFAOYSA-N

Compound name

1-methyl-5-nitronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 187.06332 Da
Monoisotopic Mass: 3.6
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]+	188.07060	135.6
[M+Na]+	210.05254	151.6
[M+NH4]+	205.09714	145.8
[M+K]+	226.02648	146.4
[M-H]-	186.05604	140.8
[M+Na-2H]-	208.03799	144.0
[M]+	187.06277	139.5
[M]-	187.06387	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe