CID 90055

6,7-dimethyl-1h-indene

Structural Information

Molecular Formula

C₁₁H₁₂

SMILES

CC1=C(C2=C(C=CC2)C=C1)C

InChI

InChI=1S/C11H12/c1-8-6-7-10-4-3-5-11(10)9(8)2/h3-4,6-7H,5H2,1-2H3

InChIKey

OOOBGDSHHYTWFG-UHFFFAOYSA-N

Compound name

6,7-dimethyl-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 144.0939 Da
Monoisotopic Mass: 3.4
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]+	145.101176	128.3
[M+Na]+	167.083118	138.3
[M-H]-	143.086624	133.6
[M+NH4]+	162.127723	153.4
[M+K]+	183.057058	135.3
[M+H-H2O]+	127.091160	123.6
[M+HCOO]-	189.092101	153.0
[M+CH3COO]-	203.107751	177.1
[M+Na-2H]-	165.068566	134.9
[M]+	144.09335142	129.3
[M]-	144.09444858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe