CID 6432911

Einecs 274-712-7

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 218.2
[M+Na]+ 531.29284 225.5
[M-H]- 507.29634 216.8
[M+NH4]+ 526.33744 228.1
[M+K]+ 547.26678 223.8
[M+H-H2O]+ 491.30088 217.3
[M+HCOO]- 553.30182 233.0
[M+CH3COO]- 567.31747 242.3
[M+Na-2H]- 529.27829 208.0
[M]+ 508.30307 222.6
[M]- 508.30417 222.6
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.