CID 112001

2,3-dihydroxypropyl acrylate

Structural Information

Molecular Formula
C6H10O4
SMILES
C=CC(=O)OCC(CO)O
InChI
InChI=1S/C6H10O4/c1-2-6(9)10-4-5(8)3-7/h2,5,7-8H,1,3-4H2
InChIKey
OWPUOLBODXJOKH-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

92
References

16908
Patents

146.0579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 129.7
[M+Na]+ 169.047118 136.2
[M-H]- 145.050624 127.3
[M+NH4]+ 164.091723 149.6
[M+K]+ 185.021058 135.7
[M+H-H2O]+ 129.055160 125.4
[M+HCOO]- 191.056101 149.9
[M+CH3COO]- 205.071751 169.1
[M+Na-2H]- 167.032566 133.2
[M]+ 146.05735142 130.2
[M]- 146.05844858 130.2
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