CID 11745523

5-ethenyl-1,2,3-trimethoxybenzene

Structural Information

Molecular Formula
C11H14O3
SMILES
COC1=CC(=CC(=C1OC)OC)C=C
InChI
InChI=1S/C11H14O3/c1-5-8-6-9(12-2)11(14-4)10(7-8)13-3/h5-7H,1H2,2-4H3
InChIKey
DBEJPQQGEMWGRE-UHFFFAOYSA-N
Compound name
5-ethenyl-1,2,3-trimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

194.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 139.0
[M+Na]+ 217.08352 148.6
[M-H]- 193.08702 143.4
[M+NH4]+ 212.12812 159.3
[M+K]+ 233.05746 147.3
[M+H-H2O]+ 177.09156 133.4
[M+HCOO]- 239.09250 163.9
[M+CH3COO]- 253.10815 186.0
[M+Na-2H]- 215.06897 144.3
[M]+ 194.09375 144.5
[M]- 194.09485 144.5
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