CID 3063571

Brn 2534145

Structural Information

Molecular Formula
C15H22O5
SMILES
COC1=C(C=CC(=C1)CC=C)OCC(CO)(CO)CO
InChI
InChI=1S/C15H22O5/c1-3-4-12-5-6-13(14(7-12)19-2)20-11-15(8-16,9-17)10-18/h3,5-7,16-18H,1,4,8-11H2,2H3
InChIKey
JPVMLKAKVMSLKV-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-[(2-methoxy-4-prop-2-enylphenoxy)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14673 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 166.2
[M+Na]+ 305.13595 171.8
[M-H]- 281.13945 165.3
[M+NH4]+ 300.18055 180.2
[M+K]+ 321.10989 168.5
[M+H-H2O]+ 265.14399 160.2
[M+HCOO]- 327.14493 183.8
[M+CH3COO]- 341.16058 194.0
[M+Na-2H]- 303.12140 169.3
[M]+ 282.14618 169.4
[M]- 282.14728 169.4
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.