CID 3039469

1,4-nonadiyn-3-one, 1-phenyl-

Structural Information

Molecular Formula
C15H14O
SMILES
CCCCC#CC(=O)C#CC1=CC=CC=C1
InChI
InChI=1S/C15H14O/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4H2,1H3
InChIKey
XWKVWAOYJGOPNH-UHFFFAOYSA-N
Compound name
1-phenylnona-1,4-diyn-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10446 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 170.9
[M+Na]+ 233.09368 180.1
[M+NH4]+ 228.13828 171.6
[M+K]+ 249.06762 168.6
[M-H]- 209.09718 160.2
[M+Na-2H]- 231.07913 169.9
[M]+ 210.10391 168.0
[M]- 210.10501 168.0
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

No patent data available for this compound.