CID 3040633

5,7-nonadiyn-4-one, 9-(2-naphthalenyloxy)-

Structural Information

Molecular Formula
C19H16O2
SMILES
CCCC(=O)C#CC#CCOC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C19H16O2/c1-2-8-18(20)11-4-3-7-14-21-19-13-12-16-9-5-6-10-17(16)15-19/h5-6,9-10,12-13,15H,2,8,14H2,1H3
InChIKey
RNJDLNKCMLMOJH-UHFFFAOYSA-N
Compound name
9-naphthalen-2-yloxynona-5,7-diyn-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11502 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12230 175.7
[M+Na]+ 299.10424 186.3
[M-H]- 275.10774 177.5
[M+NH4]+ 294.14884 186.8
[M+K]+ 315.07818 177.1
[M+H-H2O]+ 259.11228 160.9
[M+HCOO]- 321.11322 183.7
[M+CH3COO]- 335.12887 219.4
[M+Na-2H]- 297.08969 175.9
[M]+ 276.11447 168.6
[M]- 276.11557 168.6
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

No patent data available for this compound.