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
2
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]+ 243.122696 154.2
[M+Na]+ 265.104638 160.0
[M-H]- 241.108144 153.5
[M+NH4]+ 260.149243 169.7
[M+K]+ 281.078578 157.9
[M+H-H2O]+ 225.112680 148.5
[M+HCOO]- 287.113621 172.7
[M+CH3COO]- 301.129271 184.5
[M+Na-2H]- 263.090086 159.6
[M]+ 242.11487142 156.7
[M]- 242.11596858 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.