CID 6437768

63450-28-2

Structural Information

Molecular Formula
C24H38O8
SMILES
CC(CCCOC(=O)/C=C/C(=O)OCCCCOC(=O)/C=C/C(=O)OCCCC(C)C)C
InChI
InChI=1S/C24H38O8/c1-19(2)9-7-17-31-23(27)13-11-21(25)29-15-5-6-16-30-22(26)12-14-24(28)32-18-8-10-20(3)4/h11-14,19-20H,5-10,15-18H2,1-4H3/b13-11+,14-12+
InChIKey
SLBPRXCMHSPKKO-PHEQNACWSA-N
Compound name
1-O-[4-[(E)-4-(4-methylpentoxy)-4-oxobut-2-enoyl]oxybutyl] 4-O-(4-methylpentyl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.25668 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.26396 218.5
[M+Na]+ 477.24590 220.5
[M+NH4]+ 472.29050 224.1
[M+K]+ 493.21984 219.5
[M-H]- 453.24940 215.4
[M+Na-2H]- 475.23135 223.8
[M]+ 454.25613 218.4
[M]- 454.25723 218.4
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.