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

55
Patents

196.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 140.6
[M+Na]+ 219.09916 149.9
[M-H]- 195.10266 145.0
[M+NH4]+ 214.14376 160.9
[M+K]+ 235.07310 149.3
[M+H-H2O]+ 179.10720 134.9
[M+HCOO]- 241.10814 165.2
[M+CH3COO]- 255.12379 186.9
[M+Na-2H]- 217.08461 145.8
[M]+ 196.10939 146.8
[M]- 196.11049 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