CID 5353609

Methyl 2,5-dihydroxycinnamate

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)/C=C/C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
InChIKey
BQCNSTFWSKOWMA-GORDUTHDSA-N
Compound name
methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

62
References

507
Patents

194.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 140.5
[M+Na]+ 217.04712 151.8
[M+NH4]+ 212.09172 146.9
[M+K]+ 233.02106 147.2
[M-H]- 193.05062 140.2
[M+Na-2H]- 215.03257 144.9
[M]+ 194.05735 141.7
[M]- 194.05845 141.7
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

patents stripe