CID 71587972

9-dodecen-5-olide

Structural Information

Molecular Formula
C12H20O2
SMILES
CC/C=C/CCCC1CCCC(=O)O1
InChI
InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h3-4,11H,2,5-10H2,1H3/b4-3+
InChIKey
BUKJVTCSQFHXMZ-ONEGZZNKSA-N
Compound name
6-[(E)-hept-4-enyl]oxan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

196.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 147.2
[M+Na]+ 219.13555 157.7
[M+NH4]+ 214.18015 155.0
[M+K]+ 235.10949 150.8
[M-H]- 195.13905 149.8
[M+Na-2H]- 217.12100 150.6
[M]+ 196.14578 149.2
[M]- 196.14688 149.2
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.