CID 116421

Brn 3130762

Structural Information

Molecular Formula
C10H14O4
SMILES
C1=CC=C(C(=C1)CO)OC(CO)CO
InChI
InChI=1S/C10H14O4/c11-5-8-3-1-2-4-10(8)14-9(6-12)7-13/h1-4,9,11-13H,5-7H2
InChIKey
SAHYAPOPAQCWDM-UHFFFAOYSA-N
Compound name
2-[2-(hydroxymethyl)phenoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 142.5
[M+Na]+ 221.07842 152.8
[M+NH4]+ 216.12302 149.1
[M+K]+ 237.05236 148.5
[M-H]- 197.08192 142.1
[M+Na-2H]- 219.06387 146.8
[M]+ 198.08865 143.6
[M]- 198.08975 143.6
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.