CID 21702065

262376-41-0

Structural Information

Molecular Formula
C11H8O
SMILES
C#CC1=CC2=C(C=C1)C(=O)CC2
InChI
InChI=1S/C11H8O/c1-2-8-3-5-10-9(7-8)4-6-11(10)12/h1,3,5,7H,4,6H2
InChIKey
YSDHGTLYNPEPDD-UHFFFAOYSA-N
Compound name
5-ethynyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

156.05751 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.064786 134.9
[M+Na]+ 179.046728 147.3
[M-H]- 155.050234 138.2
[M+NH4]+ 174.091333 156.5
[M+K]+ 195.020668 140.7
[M+H-H2O]+ 139.054770 124.1
[M+HCOO]- 201.055711 152.8
[M+CH3COO]- 215.071361 185.5
[M+Na-2H]- 177.032176 139.3
[M]+ 156.05696142 129.2
[M]- 156.05805858 129.2
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