CID 4248455

218137-86-1

Structural Information

Molecular Formula
C14H22O4
SMILES
CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O
InChI
InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)
InChIKey
VCWLZDVWHQVAJU-UHFFFAOYSA-N
Compound name
4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

133
References

463
Patents

254.15181 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 160.4
[M+Na]+ 277.14103 166.4
[M-H]- 253.14453 162.6
[M+NH4]+ 272.18563 177.6
[M+K]+ 293.11497 164.4
[M+H-H2O]+ 237.14907 155.3
[M+HCOO]- 299.15001 179.1
[M+CH3COO]- 313.16566 194.7
[M+Na-2H]- 275.12648 159.3
[M]+ 254.15126 162.9
[M]- 254.15236 162.9
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.