CID 18935929

68586-19-6

Structural Information

Molecular Formula
C16H22O4
SMILES
CC(=C)C(=O)OCC(OC1=CCCC1)OC2=CCCC2
InChI
InChI=1S/C16H22O4/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14/h7,9,15H,1,3-6,8,10-11H2,2H3
InChIKey
JMIZWXDKTUGEES-UHFFFAOYSA-N
Compound name
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4047
Patents

278.1518 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.159076 170.1
[M+Na]+ 301.141018 172.9
[M-H]- 277.144524 175.7
[M+NH4]+ 296.185623 188.6
[M+K]+ 317.114958 172.0
[M+H-H2O]+ 261.149060 163.4
[M+HCOO]- 323.150001 190.5
[M+CH3COO]- 337.165651 197.2
[M+Na-2H]- 299.126466 166.6
[M]+ 278.15125142 170.8
[M]- 278.15234858 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe