CID 15084143

5-ethynyl-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C11H10
SMILES
C#CC1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C11H10/c1-2-9-6-7-10-4-3-5-11(10)8-9/h1,6-8H,3-5H2
InChIKey
MQVASHYUPQHESX-UHFFFAOYSA-N
Compound name
5-ethynyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

142.07825 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08553 132.8
[M+Na]+ 165.06747 144.2
[M-H]- 141.07097 135.7
[M+NH4]+ 160.11207 154.7
[M+K]+ 181.04141 137.5
[M+H-H2O]+ 125.07551 121.8
[M+HCOO]- 187.07645 150.4
[M+CH3COO]- 201.09210 145.5
[M+Na-2H]- 163.05292 137.8
[M]+ 142.07770 126.1
[M]- 142.07880 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe