CID 129903418

(2s,3r)-3-ethoxy-3-(4-hydroxyphenyl)propane-1,2-diol

Structural Information

Molecular Formula
C11H16O4
SMILES
CCO[C@H](C1=CC=C(C=C1)O)[C@H](CO)O
InChI
InChI=1S/C11H16O4/c1-2-15-11(10(14)7-12)8-3-5-9(13)6-4-8/h3-6,10-14H,2,7H2,1H3/t10-,11+/m0/s1
InChIKey
YLQJCJHUAPHREW-WDEREUQCSA-N
Compound name
(2S,3R)-3-ethoxy-3-(4-hydroxyphenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 147.4
[M+Na]+ 235.09408 152.8
[M-H]- 211.09758 146.8
[M+NH4]+ 230.13868 163.9
[M+K]+ 251.06802 150.9
[M+H-H2O]+ 195.10212 141.8
[M+HCOO]- 257.10306 165.6
[M+CH3COO]- 271.11871 180.8
[M+Na-2H]- 233.07953 149.8
[M]+ 212.10431 147.3
[M]- 212.10541 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.