CID 6432911

70636-59-8

Structural Information

Molecular Formula
C28H44O8
SMILES
CCC(COCC=C)(COCC=C)COC(=O)/C=C\C(=O)OCC(CC)(COCC=C)COCC=C
InChI
InChI=1S/C28H44O8/c1-7-15-31-19-27(11-5,20-32-16-8-2)23-35-25(29)13-14-26(30)36-24-28(12-6,21-33-17-9-3)22-34-18-10-4/h7-10,13-14H,1-4,11-12,15-24H2,5-6H3/b14-13-
InChIKey
UTQSYOHXPNKDGF-YPKPFQOOSA-N
Compound name
bis[2,2-bis(prop-2-enoxymethyl)butyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.30362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.31090 219.9
[M+Na]+ 531.29284 222.8
[M+NH4]+ 526.33744 224.2
[M+K]+ 547.26678 220.2
[M-H]- 507.29634 212.9
[M+Na-2H]- 529.27829 224.3
[M]+ 508.30307 218.9
[M]- 508.30417 218.9
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.