CID 297396

Ethyl 2,5-dihydroxyphenylacetate

Structural Information

Molecular Formula
C10H12O4
SMILES
CCOC(=O)CC1=C(C=CC(=C1)O)O
InChI
InChI=1S/C10H12O4/c1-2-14-10(13)6-7-5-8(11)3-4-9(7)12/h3-5,11-12H,2,6H2,1H3
InChIKey
QTMILHTUDCGNJF-UHFFFAOYSA-N
Compound name
ethyl 2-(2,5-dihydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

196.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.2
[M+Na]+ 219.062778 148.1
[M-H]- 195.066284 141.6
[M+NH4]+ 214.107383 158.5
[M+K]+ 235.036718 146.2
[M+H-H2O]+ 179.070820 134.8
[M+HCOO]- 241.071761 161.5
[M+CH3COO]- 255.087411 179.0
[M+Na-2H]- 217.048226 144.3
[M]+ 196.07301142 141.8
[M]- 196.07410858 141.8
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