CID 17183

1h-indene, 1-ethenyl-

Structural Information

Molecular Formula
C11H10
SMILES
C=CC1C=CC2=CC=CC=C12
InChI
InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-9H,1H2
InChIKey
DNWJJJOJBSVOEL-UHFFFAOYSA-N
Compound name
1-ethenyl-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

361
Patents

142.07825 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.085526 127.7
[M+Na]+ 165.067468 137.1
[M-H]- 141.070974 132.7
[M+NH4]+ 160.112073 152.5
[M+K]+ 181.041408 133.5
[M+H-H2O]+ 125.075510 122.8
[M+HCOO]- 187.076451 152.7
[M+CH3COO]- 201.092101 175.1
[M+Na-2H]- 163.052916 135.0
[M]+ 142.07770142 127.6
[M]- 142.07879858 127.6
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