CID 230030

5460-98-0

Structural Information

Molecular Formula

C₁₄H₁₈O₅

SMILES

C=CCOC(=O)C1CC2C(O2)CC1C(=O)OCC=C

InChI

InChI=1S/C14H18O5/c1-3-5-17-13(15)9-7-11-12(19-11)8-10(9)14(16)18-6-4-2/h3-4,9-12H,1-2,5-8H2

InChIKey

CATDJXLIBJDBGK-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 266.11542 Da
Monoisotopic Mass: 1.5
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]+	267.122696	161.4
[M+Na]+	289.104638	169.1
[M-H]-	265.108144	166.6
[M+NH4]+	284.149243	173.0
[M+K]+	305.078578	166.8
[M+H-H2O]+	249.112680	155.0
[M+HCOO]-	311.113621	178.5
[M+CH3COO]-	325.129271	199.9
[M+Na-2H]-	287.090086	163.5
[M]+	266.11487142	167.2
[M]-	266.11596858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe