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]+ 225.07575 147.1
[M+Na]+ 247.05769 154.1
[M-H]- 223.06119 147.0
[M+NH4]+ 242.10229 163.4
[M+K]+ 263.03163 151.7
[M+H-H2O]+ 207.06573 141.7
[M+HCOO]- 269.06667 166.0
[M+CH3COO]- 283.08232 181.3
[M+Na-2H]- 245.04314 149.0
[M]+ 224.06792 147.3
[M]- 224.06902 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.