CID 88829

21217-75-4

Structural Information

Molecular Formula
C12H22O6
SMILES
CC(=C)C(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C12H22O6/c1-11(2)12(14)18-10-9-17-8-7-16-6-5-15-4-3-13/h13H,1,3-10H2,2H3
InChIKey
MCWMYICYUGCRDY-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11043
Patents

262.14163 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14891 161.2
[M+Na]+ 285.13085 167.5
[M+NH4]+ 280.17545 164.9
[M+K]+ 301.10479 164.1
[M-H]- 261.13435 156.9
[M+Na-2H]- 283.11630 160.4
[M]+ 262.14108 160.2
[M]- 262.14218 160.2
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