CID 115781

3-(3-methoxyphenoxy)-2-methylpropane-1,2-diol

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]+ 213.112136 146.5
[M+Na]+ 235.094078 153.3
[M-H]- 211.097584 147.5
[M+NH4]+ 230.138683 164.0
[M+K]+ 251.068018 151.7
[M+H-H2O]+ 195.102120 141.1
[M+HCOO]- 257.103061 166.7
[M+CH3COO]- 271.118711 181.8
[M+Na-2H]- 233.079526 152.8
[M]+ 212.10431142 149.1
[M]- 212.10540858 149.1
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.