CID 115781

64049-41-8

Structural Information

Molecular Formula
C11H16O4
SMILES
CC(CO)(COC1=CC=CC(=C1)OC)O
InChI
InChI=1S/C11H16O4/c1-11(13,7-12)8-15-10-5-3-4-9(6-10)14-2/h3-6,12-13H,7-8H2,1-2H3
InChIKey
YJDHHWUZVJSQQZ-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenoxy)-2-methylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.2
[M+Na]+ 235.09408 156.9
[M+NH4]+ 230.13868 152.9
[M+K]+ 251.06802 152.5
[M-H]- 211.09758 145.9
[M+Na-2H]- 233.07953 151.2
[M]+ 212.10431 147.5
[M]- 212.10541 147.5
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.