CID 67284

1,2,4-trimethoxybenzene

Structural Information

Molecular Formula
C9H12O3
SMILES
COC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
InChIKey
AGIQIOSHSMJYJP-UHFFFAOYSA-N
Compound name
1,2,4-trimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

3302
Patents

168.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 131.9
[M+Na]+ 191.067858 141.2
[M-H]- 167.071364 136.3
[M+NH4]+ 186.112463 153.1
[M+K]+ 207.041798 141.0
[M+H-H2O]+ 151.075900 126.4
[M+HCOO]- 213.076841 157.3
[M+CH3COO]- 227.092491 179.7
[M+Na-2H]- 189.053306 138.9
[M]+ 168.07809142 137.1
[M]- 168.07918858 137.1
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