CID 582329

1,3-dimethylindene

Structural Information

Molecular Formula
C11H12
SMILES
CC1C=C(C2=CC=CC=C12)C
InChI
InChI=1S/C11H12/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3-8H,1-2H3
InChIKey
DZTYCPNBSJZKSS-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

507
Patents

144.0939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe