CID 101219702

2-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid

Structural Information

Molecular Formula
C11H10O5
SMILES
C1=CC(=CC=C1/C=C/C(=O)OCC(=O)O)O
InChI
InChI=1S/C11H10O5/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6,12H,7H2,(H,13,14)/b6-3+
InChIKey
RMPWEBYRPJQKNT-ZZXKWVIFSA-N
Compound name
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05283 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06011 145.7
[M+Na]+ 245.04205 152.5
[M-H]- 221.04555 146.7
[M+NH4]+ 240.08665 162.4
[M+K]+ 261.01599 150.3
[M+H-H2O]+ 205.05009 139.9
[M+HCOO]- 267.05103 166.3
[M+CH3COO]- 281.06668 181.5
[M+Na-2H]- 243.02750 148.8
[M]+ 222.05228 146.7
[M]- 222.05338 146.7
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.