CID 146800346

6-ethynylnaphthalene-2-carbaldehyde

Structural Information

Molecular Formula
C13H8O
SMILES
C#CC1=CC2=C(C=C1)C=C(C=C2)C=O
InChI
InChI=1S/C13H8O/c1-2-10-3-5-13-8-11(9-14)4-6-12(13)7-10/h1,3-9H
InChIKey
RXTRZKQEIGRTKB-UHFFFAOYSA-N
Compound name
6-ethynylnaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.05751 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06479 140.6
[M+Na]+ 203.04673 153.0
[M-H]- 179.05023 143.8
[M+NH4]+ 198.09133 159.7
[M+K]+ 219.02067 145.9
[M+H-H2O]+ 163.05477 129.1
[M+HCOO]- 225.05571 158.5
[M+CH3COO]- 239.07136 190.6
[M+Na-2H]- 201.03218 147.1
[M]+ 180.05696 136.0
[M]- 180.05806 136.0
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