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

0
Patents

180.05751 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.064786 140.6
[M+Na]+ 203.046728 153.0
[M-H]- 179.050234 143.8
[M+NH4]+ 198.091333 159.7
[M+K]+ 219.020668 145.9
[M+H-H2O]+ 163.054770 129.1
[M+HCOO]- 225.055711 158.5
[M+CH3COO]- 239.071361 190.6
[M+Na-2H]- 201.032176 147.1
[M]+ 180.05696142 136.0
[M]- 180.05805858 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