CID 111722

68901-06-4

Structural Information

Molecular Formula
C17H28O6
SMILES
CC(=C)C(=O)OCCCOCCCOCCCOC(=O)C(=C)C
InChI
InChI=1S/C17H28O6/c1-14(2)16(18)22-12-6-10-20-8-5-9-21-11-7-13-23-17(19)15(3)4/h1,3,5-13H2,2,4H3
InChIKey
QLSAVDKHKYMDCJ-UHFFFAOYSA-N
Compound name
3-[3-[3-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.1886 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19588 179.7
[M+Na]+ 351.17782 185.0
[M+NH4]+ 346.22242 195.8
[M+K]+ 367.15176 181.7
[M-H]- 327.18132 174.8
[M+Na-2H]- 349.16327 177.4
[M]+ 328.18805 178.3
[M]- 328.18915 178.3
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