CID 10741

530-56-3

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=CC(=CC(=C1O)OC)CO
InChI
InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
InChIKey
LUOAEJWSKPQLJD-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

763
Patents

184.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 135.9
[M+Na]+ 207.06278 145.0
[M-H]- 183.06628 137.7
[M+NH4]+ 202.10738 155.1
[M+K]+ 223.03672 143.5
[M+H-H2O]+ 167.07082 130.7
[M+HCOO]- 229.07176 158.3
[M+CH3COO]- 243.08741 177.8
[M+Na-2H]- 205.04823 141.1
[M]+ 184.07301 139.0
[M]- 184.07411 139.0
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