CID 182012

Okm 5

Structural Information

Molecular Formula
C29H32O10
SMILES
CC(=C)C(=O)OCCOC(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)OCCOC(=O)C(=C)C
InChI
InChI=1S/C29H32O10/c1-19(2)25(30)34-15-17-36-27(32)38-23-11-7-21(8-12-23)29(5,6)22-9-13-24(14-10-22)39-28(33)37-18-16-35-26(31)20(3)4/h7-14H,1,3,15-18H2,2,4-6H3
InChIKey
SXFHOXJWTISVLQ-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyloxy]phenyl]propan-2-yl]phenoxy]carbonyloxyethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

540.1995 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.20678 219.0
[M+Na]+ 563.18872 225.4
[M+NH4]+ 558.23332 229.8
[M+K]+ 579.16266 224.6
[M-H]- 539.19222 216.3
[M+Na-2H]- 561.17417 220.2
[M]+ 540.19895 218.5
[M]- 540.20005 218.5
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