CID 101660209

2-propenoic acid, 3-(4-hydroxyphenyl)-, 1-carboxy-2-hydroxyethyl ester, (e)-

Structural Information

Molecular Formula
C12H12O6
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC(CO)C(=O)O)O
InChI
InChI=1S/C12H12O6/c13-7-10(12(16)17)18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,13-14H,7H2,(H,16,17)/b6-3+
InChIKey
UYRFKSDZFBCTMU-ZZXKWVIFSA-N
Compound name
3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06339 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07067 153.5
[M+Na]+ 275.05261 159.0
[M-H]- 251.05611 152.9
[M+NH4]+ 270.09721 168.0
[M+K]+ 291.02655 156.8
[M+H-H2O]+ 235.06065 147.5
[M+HCOO]- 297.06159 171.4
[M+CH3COO]- 311.07724 185.4
[M+Na-2H]- 273.03806 154.4
[M]+ 252.06284 153.7
[M]- 252.06394 153.7
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

No patent data available for this compound.