CID 155240

Hydroxytyrosol acetate

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(=O)OCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C10H12O4/c1-7(11)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6,12-13H,4-5H2,1H3
InChIKey
FGJGLFPNIZXRLV-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

82
Patents

196.07356 Da
Monoisotopic Mass

-0.1
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