CID 68825

Guaietolin

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-8-9(13)7-12/h3-6,9,12-13H,2,7-8H2,1H3
InChIKey
XLOYQLAMNLMXCE-UHFFFAOYSA-N
Compound name
3-(2-ethoxyphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

212.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.6
[M+Na]+ 235.09408 152.7
[M-H]- 211.09758 147.3
[M+NH4]+ 230.13868 163.9
[M+K]+ 251.06802 151.1
[M+H-H2O]+ 195.10212 140.6
[M+HCOO]- 257.10306 167.3
[M+CH3COO]- 271.11871 182.3
[M+Na-2H]- 233.07953 150.8
[M]+ 212.10431 149.0
[M]- 212.10541 149.0
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