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

168
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 136.7
[M+Na]+ 207.06278 145.4
[M-H]- 183.06628 137.1
[M+NH4]+ 202.10738 155.2
[M+K]+ 223.03672 143.0
[M+H-H2O]+ 167.07082 131.8
[M+HCOO]- 229.07176 157.6
[M+CH3COO]- 243.08741 175.4
[M+Na-2H]- 205.04823 141.3
[M]+ 184.07301 137.9
[M]- 184.07411 137.9
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