CID 161566

3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol

Structural Information

Molecular Formula
C10H14O4
SMILES
COC1=C(C=CC(=C1)CC(CO)O)O
InChI
InChI=1S/C10H14O4/c1-14-10-5-7(2-3-9(10)13)4-8(12)6-11/h2-3,5,8,11-13H,4,6H2,1H3
InChIKey
QGFJORGLNPWXMK-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

198.0892 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 142.2
[M+Na]+ 221.07842 152.8
[M+NH4]+ 216.12302 148.7
[M+K]+ 237.05236 148.7
[M-H]- 197.08192 141.8
[M+Na-2H]- 219.06387 146.2
[M]+ 198.08865 143.3
[M]- 198.08975 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe