CID 162635

2-propenoic acid, 2-methyl-, (1-methyl-1,2-ethanediyl)bis(oxy(methyl-2,1-ethanediyl)) ester

Structural Information

Molecular Formula
C17H28O6
SMILES
CC(COCC(C)OC(=O)C(=C)C)OCC(C)OC(=O)C(=C)C
InChI
InChI=1S/C17H28O6/c1-11(2)16(18)22-14(6)9-20-8-13(5)21-10-15(7)23-17(19)12(3)4/h13-15H,1,3,8-10H2,2,4-7H3
InChIKey
WJWQVBVYZZTOSK-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.1886 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19588 179.1
[M+Na]+ 351.17782 181.5
[M-H]- 327.18132 178.1
[M+NH4]+ 346.22242 197.2
[M+K]+ 367.15176 182.7
[M+H-H2O]+ 311.18586 173.1
[M+HCOO]- 373.18680 188.0
[M+CH3COO]- 387.20245 213.3
[M+Na-2H]- 349.16327 172.6
[M]+ 328.18805 186.0
[M]- 328.18915 186.0
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