CID 69505

3,4,5-trimethoxyphenol

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=CC(=CC(=C1OC)OC)O
InChI
InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3
InChIKey
VTCDZPUMZAZMSB-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2218
Patents

184.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 136.1
[M+Na]+ 207.06278 148.8
[M+NH4]+ 202.10738 143.7
[M+K]+ 223.03672 143.8
[M-H]- 183.06628 137.1
[M+Na-2H]- 205.04823 141.9
[M]+ 184.07301 138.1
[M]- 184.07411 138.1
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