CID 10264377

2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol

Structural Information

Molecular Formula
C13H20O5
SMILES
COC1=C(C=CC(=C1)CCCO)OC(CO)CO
InChI
InChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3
InChIKey
WAPGRPJEBCULTQ-UHFFFAOYSA-N
Compound name
2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

256.13107 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13835 158.6
[M+Na]+ 279.12029 168.1
[M+NH4]+ 274.16489 164.0
[M+K]+ 295.09423 163.8
[M-H]- 255.12379 157.5
[M+Na-2H]- 277.10574 161.3
[M]+ 256.13052 159.3
[M]- 256.13162 159.3
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