CID 96463

Itaconic acid, diester with allyl lactate

Structural Information

Molecular Formula
C17H22O8
SMILES
CC(C(=O)OCC=C)OC(=O)CC(=C)C(=O)OC(C)C(=O)OCC=C
InChI
InChI=1S/C17H22O8/c1-6-8-22-16(20)12(4)24-14(18)10-11(3)15(19)25-13(5)17(21)23-9-7-2/h6-7,12-13H,1-3,8-10H2,4-5H3
InChIKey
UZBBXMOMBNTGOL-UHFFFAOYSA-N
Compound name
bis(1-oxo-1-prop-2-enoxypropan-2-yl) 2-methylidenebutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13875 186.3
[M+Na]+ 377.12069 198.3
[M-H]- 353.12419 191.3
[M+NH4]+ 372.16529 201.4
[M+K]+ 393.09463 192.1
[M+H-H2O]+ 337.12873 171.8
[M+HCOO]- 399.12967 192.1
[M+CH3COO]- 413.14532 213.7
[M+Na-2H]- 375.10614 172.1
[M]+ 354.13092 188.6
[M]- 354.13202 188.6
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.