CID 121237820

9-tetradecen-5-olide

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCCC=CCCCC1CCCC(=O)O1
InChI
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h5-6,13H,2-4,7-12H2,1H3
InChIKey
JAJFALMXCYETOU-UHFFFAOYSA-N
Compound name
6-non-4-enyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

45
Patents

224.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 155.8
[M+Na]+ 247.16685 159.7
[M-H]- 223.17035 158.5
[M+NH4]+ 242.21145 172.8
[M+K]+ 263.14079 158.0
[M+H-H2O]+ 207.17489 149.5
[M+HCOO]- 269.17583 174.3
[M+CH3COO]- 283.19148 190.3
[M+Na-2H]- 245.15230 158.8
[M]+ 224.17708 155.7
[M]- 224.17818 155.7
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

patents stripe