CID 118523879

Schembl17273274

Structural Information

Molecular Formula
C6H8O5
SMILES
C=CC(=O)OCC(C(=O)O)O
InChI
InChI=1S/C6H8O5/c1-2-5(8)11-3-4(7)6(9)10/h2,4,7H,1,3H2,(H,9,10)
InChIKey
OQEUEZMJFHOAEN-UHFFFAOYSA-N
Compound name
2-hydroxy-3-prop-2-enoyloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.03717 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.044446 130.6
[M+Na]+ 183.026388 137.1
[M-H]- 159.029894 128.2
[M+NH4]+ 178.070993 149.6
[M+K]+ 199.000328 137.0
[M+H-H2O]+ 143.034430 126.2
[M+HCOO]- 205.035371 150.2
[M+CH3COO]- 219.051021 171.3
[M+Na-2H]- 181.011836 132.9
[M]+ 160.03662142 131.2
[M]- 160.03771858 131.2
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