CID 49768589

(e)-3-hydroxypropyl 3-(3,4-dihydroxyphenyl)acrylate

Structural Information

Molecular Formula
C12H14O5
SMILES
C1=CC(=C(C=C1/C=C/C(=O)OCCCO)O)O
InChI
InChI=1S/C12H14O5/c13-6-1-7-17-12(16)5-3-9-2-4-10(14)11(15)8-9/h2-5,8,13-15H,1,6-7H2/b5-3+
InChIKey
GMDYWBJIXKLGEX-HWKANZROSA-N
Compound name
3-hydroxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

238.08412 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 151.7
[M+Na]+ 261.07334 158.4
[M-H]- 237.07684 151.3
[M+NH4]+ 256.11794 167.4
[M+K]+ 277.04728 155.2
[M+H-H2O]+ 221.08138 145.9
[M+HCOO]- 283.08232 171.1
[M+CH3COO]- 297.09797 183.3
[M+Na-2H]- 259.05879 154.2
[M]+ 238.08357 152.8
[M]- 238.08467 152.8
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

patents stripe