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

131
References

460
Patents

254.15181 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.159086 160.4
[M+Na]+ 277.141028 166.4
[M-H]- 253.144534 162.6
[M+NH4]+ 272.185633 177.6
[M+K]+ 293.114968 164.4
[M+H-H2O]+ 237.149070 155.3
[M+HCOO]- 299.150011 179.1
[M+CH3COO]- 313.165661 194.7
[M+Na-2H]- 275.126476 159.3
[M]+ 254.15126142 162.9
[M]- 254.15235858 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.