CID 827459

2,6-bis(hydroxymethyl)-4-methoxyphenol

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=CC(=C(C(=C1)CO)O)CO
InChI
InChI=1S/C9H12O4/c1-13-8-2-6(4-10)9(12)7(3-8)5-11/h2-3,10-12H,4-5H2,1H3
InChIKey
JXMWJLYIVJTAQT-UHFFFAOYSA-N
Compound name
2,6-bis(hydroxymethyl)-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

164
Patents

184.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 137.2
[M+Na]+ 207.06278 148.8
[M+NH4]+ 202.10738 144.0
[M+K]+ 223.03672 144.3
[M-H]- 183.06628 137.1
[M+Na-2H]- 205.04823 141.7
[M]+ 184.07301 138.6
[M]- 184.07411 138.6
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

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