CID 105687

2-ethyl-1,3,5-trimethoxybenzene

Structural Information

Molecular Formula
C11H16O3
SMILES
CCC1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C11H16O3/c1-5-9-10(13-3)6-8(12-2)7-11(9)14-4/h6-7H,5H2,1-4H3
InChIKey
HXQYBITZEZXDJD-UHFFFAOYSA-N
Compound name
2-ethyl-1,3,5-trimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

196.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 140.6
[M+Na]+ 219.099158 149.9
[M-H]- 195.102664 145.0
[M+NH4]+ 214.143763 160.9
[M+K]+ 235.073098 149.3
[M+H-H2O]+ 179.107200 134.9
[M+HCOO]- 241.108141 165.2
[M+CH3COO]- 255.123791 186.9
[M+Na-2H]- 217.084606 145.8
[M]+ 196.10939142 146.8
[M]- 196.11048858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe