CID 93276

52408-84-1

Structural Information

Molecular Formula
C21H32O9
SMILES
C=CC(=O)OCCCOCC(COCCCOC(=O)C=C)OCCCOC(=O)C=C
InChI
InChI=1S/C21H32O9/c1-4-19(22)28-13-7-10-25-16-18(27-12-9-15-30-21(24)6-3)17-26-11-8-14-29-20(23)5-2/h4-6,18H,1-3,7-17H2
InChIKey
DMQYPVOQAARSNF-UHFFFAOYSA-N
Compound name
3-[2,3-bis(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1170
Patents

428.20462 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21190 207.1
[M+Na]+ 451.19384 215.9
[M-H]- 427.19734 206.1
[M+NH4]+ 446.23844 217.7
[M+K]+ 467.16778 209.9
[M+H-H2O]+ 411.20188 211.6
[M+HCOO]- 473.20282 217.4
[M+CH3COO]- 487.21847 225.9
[M+Na-2H]- 449.17929 199.1
[M]+ 428.20407 209.0
[M]- 428.20517 209.0
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