CID 6365766

Einecs 278-612-4

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCCCCCCCCC/C=C\1/C=CC(=O)O1
InChI
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h13-15H,2-12H2,1H3/b16-13-
InChIKey
UQSPNCHPSSEQIM-SSZFMOIBSA-N
Compound name
(5Z)-5-tridecylidenefuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 169.0
[M+Na]+ 287.198138 173.5
[M-H]- 263.201644 171.6
[M+NH4]+ 282.242743 186.3
[M+K]+ 303.172078 170.6
[M+H-H2O]+ 247.206180 162.5
[M+HCOO]- 309.207121 190.0
[M+CH3COO]- 323.222771 198.7
[M+Na-2H]- 285.183586 169.9
[M]+ 264.20837142 173.4
[M]- 264.20946858 173.4
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.