CID 6365765

(z)-5-nonylidenefuran-2(5h)-one

Structural Information

Molecular Formula
C13H20O2
SMILES
CCCCCCCC/C=C\1/C=CC(=O)O1
InChI
InChI=1S/C13H20O2/c1-2-3-4-5-6-7-8-9-12-10-11-13(14)15-12/h9-11H,2-8H2,1H3/b12-9-
InChIKey
IJOKSZJPYRAWLL-XFXZXTDPSA-N
Compound name
(5Z)-5-nonylidenefuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 150.3
[M+Na]+ 231.135548 156.6
[M-H]- 207.139054 153.7
[M+NH4]+ 226.180153 169.9
[M+K]+ 247.109488 154.8
[M+H-H2O]+ 191.143590 144.7
[M+HCOO]- 253.144531 172.8
[M+CH3COO]- 267.160181 186.6
[M+Na-2H]- 229.120996 153.4
[M]+ 208.14578142 153.4
[M]- 208.14687858 153.4
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.