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]+ 283.154006 166.2
[M+Na]+ 305.135948 171.8
[M-H]- 281.139454 165.3
[M+NH4]+ 300.180553 180.2
[M+K]+ 321.109888 168.5
[M+H-H2O]+ 265.143990 160.2
[M+HCOO]- 327.144931 183.8
[M+CH3COO]- 341.160581 194.0
[M+Na-2H]- 303.121396 169.3
[M]+ 282.14618142 169.4
[M]- 282.14727858 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.