CID 111722

Einecs 272-648-4

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 180.7
[M+Na]+ 351.17782 183.6
[M-H]- 327.18132 179.3
[M+NH4]+ 346.22242 193.6
[M+K]+ 367.15176 183.1
[M+H-H2O]+ 311.18586 174.0
[M+HCOO]- 373.18680 196.0
[M+CH3COO]- 387.20245 210.5
[M+Na-2H]- 349.16327 177.5
[M]+ 328.18805 189.4
[M]- 328.18915 189.4
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