CID 16587

Dtxcid70579612

Structural Information

Molecular Formula

C₁₀H₁₀

SMILES

CC1=CC2=CC=CC=C2C1

InChI

InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3

InChIKey

YSAXEHWHSLANOM-UHFFFAOYSA-N

Compound name

2-methyl-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4902
Patents: 130.07825 Da
Monoisotopic Mass: 2.6
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]+	131.08553	124.1
[M+Na]+	153.06747	133.6
[M-H]-	129.07097	129.2
[M+NH4]+	148.11207	149.5
[M+K]+	169.04141	130.9
[M+H-H2O]+	113.07551	119.4
[M+HCOO]-	175.07645	149.2
[M+CH3COO]-	189.09210	139.6
[M+Na-2H]-	151.05292	132.0
[M]+	130.07770	124.4
[M]-	130.07880	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe