CID 3018262

1,2,3,4-tetrahydro-1-nitronaphthalene

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC(C2=CC=CC=C2C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2

InChIKey

USQUNNYHRYDWDE-UHFFFAOYSA-N

Compound name

1-nitro-1,2,3,4-tetrahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 177.07898 Da
Monoisotopic Mass: 2.5
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]+	178.086256	134.5
[M+Na]+	200.068198	140.4
[M-H]-	176.071704	138.6
[M+NH4]+	195.112803	154.6
[M+K]+	216.042138	134.2
[M+H-H2O]+	160.076240	133.2
[M+HCOO]-	222.077181	156.9
[M+CH3COO]-	236.092831	175.1
[M+Na-2H]-	198.053646	143.5
[M]+	177.07843142	130.0
[M]-	177.07952858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe