CID 77057

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

Structural Information

Molecular Formula
C17H24O7
SMILES
CC(=C)C(=O)OCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChI
InChI=1S/C17H24O7/c1-11(2)14(19)22-8-17(7-18,9-23-15(20)12(3)4)10-24-16(21)13(5)6/h18H,1,3,5,7-10H2,2,4,6H3
InChIKey
JUDXBRVLWDGRBC-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24996
Patents

340.1522 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15948 176.1
[M+Na]+ 363.14142 188.8
[M-H]- 339.14492 182.8
[M+NH4]+ 358.18602 190.2
[M+K]+ 379.11536 179.0
[M+H-H2O]+ 323.14946 171.0
[M+HCOO]- 385.15040 185.2
[M+CH3COO]- 399.16605 210.0
[M+Na-2H]- 361.12687 171.9
[M]+ 340.15165 181.1
[M]- 340.15275 181.1
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