CID 134812116

(4e,10e,12e)-nonadec-4,10,12-trien-6,8-diyn-2-one

Structural Information

Molecular Formula
C19H24O
SMILES
CCCCCC/C=C/C=C/C#CC#C/C=C/CC(=O)C
InChI
InChI=1S/C19H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h8-11,16-17H,3-7,18H2,1-2H3/b9-8+,11-10+,17-16+
InChIKey
UAWPWLCVYGIHJZ-LXIBMNCBSA-N
Compound name
(4E,10E,12E)-nonadeca-4,10,12-trien-6,8-diyn-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1827 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.18998 171.1
[M+Na]+ 291.17192 179.0
[M-H]- 267.17542 171.3
[M+NH4]+ 286.21652 182.3
[M+K]+ 307.14586 172.8
[M+H-H2O]+ 251.17996 157.1
[M+HCOO]- 313.18090 178.9
[M+CH3COO]- 327.19655 219.2
[M+Na-2H]- 289.15737 169.2
[M]+ 268.18215 164.6
[M]- 268.18325 164.6
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.