CID 88563

2,4,6-trimethoxyphenol

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C9H12O4/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5,10H,1-3H3
InChIKey
HSJYYLNJWGKZMD-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

224
Patents

184.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 135.0
[M+Na]+ 207.062778 144.6
[M-H]- 183.066284 138.3
[M+NH4]+ 202.107383 155.0
[M+K]+ 223.036718 144.1
[M+H-H2O]+ 167.070820 129.7
[M+HCOO]- 229.071761 159.0
[M+CH3COO]- 243.087411 180.3
[M+Na-2H]- 205.048226 140.8
[M]+ 184.07301142 140.0
[M]- 184.07410858 140.0
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