CID 91997475

Einecs 288-112-8

Structural Information

Molecular Formula
C18H26O7
SMILES
C=CCOCC(COCC=C)(COCC=C)COC(=O)/C=C\C(=O)O
InChI
InChI=1S/C18H26O7/c1-4-9-22-12-18(13-23-10-5-2,14-24-11-6-3)15-25-17(21)8-7-16(19)20/h4-8H,1-3,9-15H2,(H,19,20)/b8-7-
InChIKey
KNDUUGQODQGFMG-FPLPWBNLSA-N
Compound name
(Z)-4-oxo-4-[3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propoxy]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.16785 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.175126 183.3
[M+Na]+ 377.157068 186.5
[M-H]- 353.160574 180.5
[M+NH4]+ 372.201673 188.0
[M+K]+ 393.131008 183.8
[M+H-H2O]+ 337.165110 177.0
[M+HCOO]- 399.166051 198.1
[M+CH3COO]- 413.181701 210.0
[M+Na-2H]- 375.142516 183.0
[M]+ 354.16730142 184.7
[M]- 354.16839858 184.7
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