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]+ 277.122296 175.7
[M+Na]+ 299.104238 186.3
[M-H]- 275.107744 177.5
[M+NH4]+ 294.148843 186.8
[M+K]+ 315.078178 177.1
[M+H-H2O]+ 259.112280 160.9
[M+HCOO]- 321.113221 183.7
[M+CH3COO]- 335.128871 219.4
[M+Na-2H]- 297.089686 175.9
[M]+ 276.11447142 168.6
[M]- 276.11556858 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.