CID 56973716

3-[3-hydroxy-2-methoxy-6-[(e)-prop-1-enyl]phenyl]propane-1,2-diol

Structural Information

Molecular Formula
C13H18O4
SMILES
C/C=C/C1=C(C(=C(C=C1)O)OC)CC(CO)O
InChI
InChI=1S/C13H18O4/c1-3-4-9-5-6-12(16)13(17-2)11(9)7-10(15)8-14/h3-6,10,14-16H,7-8H2,1-2H3/b4-3+
InChIKey
ONYKXQJZFDTKOK-ONEGZZNKSA-N
Compound name
3-[3-hydroxy-2-methoxy-6-[(E)-prop-1-enyl]phenyl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.12051 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 154.2
[M+Na]+ 261.109728 161.2
[M-H]- 237.113234 154.0
[M+NH4]+ 256.154333 170.4
[M+K]+ 277.083668 157.8
[M+H-H2O]+ 221.117770 148.7
[M+HCOO]- 283.118711 172.9
[M+CH3COO]- 297.134361 186.9
[M+Na-2H]- 259.095176 155.4
[M]+ 238.11996142 155.4
[M]- 238.12105858 155.4
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.