CID 81767

7328-18-9

Structural Information

Molecular Formula
C8H14O4
SMILES
COCCOCCOC(=O)C=C
InChI
InChI=1S/C8H14O4/c1-3-8(9)12-7-6-11-5-4-10-2/h3H,1,4-7H2,2H3
InChIKey
HZMXJTJBSWOCQB-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4540
Patents

174.0892 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 136.9
[M+Na]+ 197.078418 143.7
[M-H]- 173.081924 137.0
[M+NH4]+ 192.123023 157.2
[M+K]+ 213.052358 144.1
[M+H-H2O]+ 157.086460 131.8
[M+HCOO]- 219.087401 160.5
[M+CH3COO]- 233.103051 179.5
[M+Na-2H]- 195.063866 141.9
[M]+ 174.08865142 142.7
[M]- 174.08974858 142.7
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