CID 108239

54405-64-0

Structural Information

Molecular Formula

C₁₈H₃₀O₃

SMILES

CCCCCCCCCCCC=CCC1CC(=O)OC1=O

InChI

InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h12-13,16H,2-11,14-15H2,1H3

InChIKey

UCXPNVVUUNXKPX-UHFFFAOYSA-N

Compound name

3-tetradec-2-enyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 47
Patents: 294.21948 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.22676	176.0
[M+Na]+	317.20870	180.2
[M-H]-	293.21220	178.4
[M+NH4]+	312.25330	192.1
[M+K]+	333.18264	177.1
[M+H-H2O]+	277.21674	169.6
[M+HCOO]-	339.21768	195.6
[M+CH3COO]-	353.23333	204.4
[M+Na-2H]-	315.19415	174.9
[M]+	294.21893	180.5
[M]-	294.22003	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe