CID 4134651

2,2-di(prop-2-yn-1-yl)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C15H10O2
SMILES
C#CCC1(C(=O)C2=CC=CC=C2C1=O)CC#C
InChI
InChI=1S/C15H10O2/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14(15)17/h1-2,5-8H,9-10H2
InChIKey
DIEBKZFEMFDORU-UHFFFAOYSA-N
Compound name
2,2-bis(prop-2-ynyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 163.9
[M+Na]+ 245.05730 177.6
[M-H]- 221.06080 167.2
[M+NH4]+ 240.10190 179.4
[M+K]+ 261.03124 167.5
[M+H-H2O]+ 205.06534 150.7
[M+HCOO]- 267.06628 173.3
[M+CH3COO]- 281.08193 213.3
[M+Na-2H]- 243.04275 164.3
[M]+ 222.06753 156.7
[M]- 222.06863 156.7
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

No patent data available for this compound.