CID 9422

6-methyltetraphene

Structural Information

Molecular Formula

C₁₉H₁₄

SMILES

CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13

InChI

InChI=1S/C19H14/c1-13-10-16-8-4-5-9-17(16)19-12-15-7-3-2-6-14(15)11-18(13)19/h2-12H,1H3

InChIKey

WOIBRJNTTODOPT-UHFFFAOYSA-N

Compound name

6-methylbenzo[a]anthracene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 242.10954 Da
Monoisotopic Mass: 5.8
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]+	243.11682	153.3
[M+Na]+	265.09876	173.4
[M+NH4]+	260.14336	166.1
[M+K]+	281.07270	161.6
[M-H]-	241.10226	160.6
[M+Na-2H]-	263.08421	164.3
[M]+	242.10899	158.9
[M]-	242.11009	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe