CID 140141521

120283-48-9

Structural Information

Molecular Formula
C8H12O5
SMILES
C=CC(=O)OCCOCCC(=O)O
InChI
InChI=1S/C8H12O5/c1-2-8(11)13-6-5-12-4-3-7(9)10/h2H,1,3-6H2,(H,9,10)
InChIKey
SKWDRSOPNDXMIS-UHFFFAOYSA-N
Compound name
3-(2-prop-2-enoyloxyethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.06847 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.075746 138.9
[M+Na]+ 211.057688 145.2
[M-H]- 187.061194 137.5
[M+NH4]+ 206.102293 157.6
[M+K]+ 227.031628 145.0
[M+H-H2O]+ 171.065730 133.8
[M+HCOO]- 233.066671 160.4
[M+CH3COO]- 247.082321 178.9
[M+Na-2H]- 209.043136 142.1
[M]+ 188.06792142 142.8
[M]- 188.06901858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe