CID 103811

Einecs 258-673-3

Structural Information

Molecular Formula
C16H24O6
SMILES
CCC(COCC=C)(COCC=C)COC(=O)C=CC(=O)O
InChI
InChI=1S/C16H24O6/c1-4-9-20-11-16(6-3,12-21-10-5-2)13-22-15(19)8-7-14(17)18/h4-5,7-8H,1-2,6,9-13H2,3H3,(H,17,18)
InChIKey
UFCISMKNGKHPKI-UHFFFAOYSA-N
Compound name
4-[2,2-bis(prop-2-enoxymethyl)butoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

312.1573 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16458 174.7
[M+Na]+ 335.14652 180.0
[M+NH4]+ 330.19112 181.1
[M+K]+ 351.12046 176.8
[M-H]- 311.15002 168.8
[M+Na-2H]- 333.13197 172.6
[M]+ 312.15675 173.0
[M]- 312.15785 173.0
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