CID 170752

45103-58-0

Structural Information

Molecular Formula
C9H16O4
SMILES
CC(=C)C(=O)OCCOCCOC
InChI
InChI=1S/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3
InChIKey
DAVVKEZTUOGEAK-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

9402
Patents

188.10486 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 141.9
[M+Na]+ 211.09408 148.1
[M-H]- 187.09758 141.9
[M+NH4]+ 206.13868 161.6
[M+K]+ 227.06802 148.7
[M+H-H2O]+ 171.10212 136.7
[M+HCOO]- 233.10306 164.2
[M+CH3COO]- 247.11871 183.4
[M+Na-2H]- 209.07953 145.0
[M]+ 188.10431 147.5
[M]- 188.10541 147.5
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