CID 88240

2-propenoic acid, 1,1'-(2-methyl-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester

Structural Information

Molecular Formula
C14H18O6
SMILES
CC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChI
InChI=1S/C14H18O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h5-7H,1-3,8-10H2,4H3
InChIKey
HSZUHSXXAOWGQY-UHFFFAOYSA-N
Compound name
[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

12028
Patents

282.11035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.117626 161.9
[M+Na]+ 305.099568 167.4
[M-H]- 281.103074 161.5
[M+NH4]+ 300.144173 177.6
[M+K]+ 321.073508 166.4
[M+H-H2O]+ 265.107610 156.7
[M+HCOO]- 327.108551 181.4
[M+CH3COO]- 341.124201 198.7
[M+Na-2H]- 303.085016 162.8
[M]+ 282.10980142 168.3
[M]- 282.11089858 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe