CID 49768590

1-hydroxyethyl-3-(3,4-dihydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C11H12O5
SMILES
CC(O)OC(=O)/C=C/C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H12O5/c1-7(12)16-11(15)5-3-8-2-4-9(13)10(14)6-8/h2-7,12-14H,1H3/b5-3+
InChIKey
CFMSNLGWJDSVNW-HWKANZROSA-N
Compound name
1-hydroxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.06847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.075746 147.1
[M+Na]+ 247.057688 154.1
[M-H]- 223.061194 147.0
[M+NH4]+ 242.102293 163.4
[M+K]+ 263.031628 151.7
[M+H-H2O]+ 207.065730 141.7
[M+HCOO]- 269.066671 166.0
[M+CH3COO]- 283.082321 181.3
[M+Na-2H]- 245.043136 149.0
[M]+ 224.06792142 147.3
[M]- 224.06901858 147.3
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

No patent data available for this compound.