CID 80922

3,4,5-trimethoxytoluene

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
InChIKey
KCIZTNZGSBSSRM-UHFFFAOYSA-N
Compound name
1,2,3-trimethoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

3964
Patents

182.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 136.8
[M+Na]+ 205.08352 150.4
[M+NH4]+ 200.12812 145.3
[M+K]+ 221.05746 144.3
[M-H]- 181.08702 138.9
[M+Na-2H]- 203.06897 143.5
[M]+ 182.09375 139.4
[M]- 182.09485 139.4
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