CID 610158

Anthracene, 9-ethyl-9,10-dihydro-9,10-dimethyl-

Structural Information

Molecular Formula

C₁₈H₂₀

SMILES

CCC1(C2=CC=CC=C2C(C3=CC=CC=C31)C)C

InChI

InChI=1S/C18H20/c1-4-18(3)16-11-7-5-9-14(16)13(2)15-10-6-8-12-17(15)18/h5-13H,4H2,1-3H3

InChIKey

SRHFYVHFJIKJFO-UHFFFAOYSA-N

Compound name

10-ethyl-9,10-dimethyl-9H-anthracene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.1565 Da
Monoisotopic Mass: 5.6
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]+	237.163776	155.2
[M+Na]+	259.145718	164.4
[M-H]-	235.149224	160.8
[M+NH4]+	254.190323	177.6
[M+K]+	275.119658	159.0
[M+H-H2O]+	219.153760	148.3
[M+HCOO]-	281.154701	174.9
[M+CH3COO]-	295.170351	168.0
[M+Na-2H]-	257.131166	162.5
[M]+	236.15595142	155.5
[M]-	236.15704858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.