CID 13165

2-hydroxyethyl acrylate

Structural Information

Molecular Formula
C5H8O3
SMILES
C=CC(=O)OCCO
InChI
InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2
InChIKey
OMIGHNLMNHATMP-UHFFFAOYSA-N
Compound name
2-hydroxyethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

124
References

48527
Patents

116.04734 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 121.2
[M+Na]+ 139.036558 128.8
[M-H]- 115.040064 120.4
[M+NH4]+ 134.081163 143.2
[M+K]+ 155.010498 128.6
[M+H-H2O]+ 99.044600 117.1
[M+HCOO]- 161.045541 144.0
[M+CH3COO]- 175.061191 165.7
[M+Na-2H]- 137.022006 127.1
[M]+ 116.04679142 122.4
[M]- 116.04788858 122.4
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