CID 28803

17831-71-9

Structural Information

Molecular Formula
C14H22O7
SMILES
C=CC(=O)OCCOCCOCCOCCOC(=O)C=C
InChI
InChI=1S/C14H22O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-4H,1-2,5-12H2
InChIKey
HCLJOFJIQIJXHS-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

36786
Patents

302.13657 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14385 168.5
[M+Na]+ 325.12579 172.8
[M-H]- 301.12929 167.4
[M+NH4]+ 320.17039 183.2
[M+K]+ 341.09973 172.6
[M+H-H2O]+ 285.13383 161.7
[M+HCOO]- 347.13477 190.2
[M+CH3COO]- 361.15042 202.0
[M+Na-2H]- 323.11124 169.5
[M]+ 302.13602 178.8
[M]- 302.13712 178.8
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