CID 603577

2,3,4-trimethoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

363
Patents

184.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 135.0
[M+Na]+ 207.06278 144.6
[M-H]- 183.06628 138.3
[M+NH4]+ 202.10738 155.0
[M+K]+ 223.03672 144.1
[M+H-H2O]+ 167.07082 129.7
[M+HCOO]- 229.07176 159.0
[M+CH3COO]- 243.08741 180.3
[M+Na-2H]- 205.04823 140.8
[M]+ 184.07301 140.0
[M]- 184.07411 140.1
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