CID 57356616

Schembl40438

Structural Information

Molecular Formula
C21H32O9
SMILES
CC(COCC(COCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C21H32O9/c1-7-19(22)28-15(4)10-25-13-18(27-12-17(6)30-21(24)9-3)14-26-11-16(5)29-20(23)8-2/h7-9,15-18H,1-3,10-14H2,4-6H3
InChIKey
UTPIIYCVYBQOBI-UHFFFAOYSA-N
Compound name
1-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

428.20462 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.211896 206.8
[M+Na]+ 451.193838 217.0
[M-H]- 427.197344 210.1
[M+NH4]+ 446.238443 222.1
[M+K]+ 467.167778 212.7
[M+H-H2O]+ 411.201880 213.0
[M+HCOO]- 473.202821 210.0
[M+CH3COO]- 487.218471 228.5
[M+Na-2H]- 449.179286 200.7
[M]+ 428.20407142 209.2
[M]- 428.20516858 209.2
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

patents stripe