CID 10584634

3,4-dihydroxyphenyllactic acid methyl ester

Structural Information

Molecular Formula
C10H12O5
SMILES
COC(=O)C(CC1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C10H12O5/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-13H,5H2,1H3
InChIKey
NMAOZVAEJYOPOF-UHFFFAOYSA-N
Compound name
methyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

212.06847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 143.7
[M+Na]+ 235.05769 150.7
[M-H]- 211.06119 143.7
[M+NH4]+ 230.10229 160.4
[M+K]+ 251.03163 149.1
[M+H-H2O]+ 195.06573 138.3
[M+HCOO]- 257.06667 162.6
[M+CH3COO]- 271.08232 179.7
[M+Na-2H]- 233.04314 146.0
[M]+ 212.06792 144.2
[M]- 212.06902 144.2
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