CID 81690

7271-80-9

Structural Information

Molecular Formula
C12H18O5
SMILES
COC1=CC=CC=C1OCC(CO)(CO)CO
InChI
InChI=1S/C12H18O5/c1-16-10-4-2-3-5-11(10)17-9-12(6-13,7-14)8-15/h2-5,13-15H,6-9H2,1H3
InChIKey
AAQFEENIXHFFDP-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-[(2-methoxyphenoxy)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11542 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12270 154.2
[M+Na]+ 265.10464 160.0
[M-H]- 241.10814 153.5
[M+NH4]+ 260.14924 169.7
[M+K]+ 281.07858 157.9
[M+H-H2O]+ 225.11268 148.5
[M+HCOO]- 287.11362 172.7
[M+CH3COO]- 301.12927 184.5
[M+Na-2H]- 263.09009 159.6
[M]+ 242.11487 156.7
[M]- 242.11597 156.7
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.