CID 5743635

2-[(3,4,5-trimethoxyphenoxy)methyl]oxirane

Structural Information

Molecular Formula
C12H16O5
SMILES
COC1=CC(=CC(=C1OC)OC)OCC2CO2
InChI
InChI=1S/C12H16O5/c1-13-10-4-8(16-6-9-7-17-9)5-11(14-2)12(10)15-3/h4-5,9H,6-7H2,1-3H3
InChIKey
DMPSZPVEKHHIBR-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxyphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

240.09978 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.107056 151.3
[M+Na]+ 263.088998 161.8
[M-H]- 239.092504 160.2
[M+NH4]+ 258.133603 163.6
[M+K]+ 279.062938 161.6
[M+H-H2O]+ 223.097040 144.1
[M+HCOO]- 285.097981 175.1
[M+CH3COO]- 299.113631 195.3
[M+Na-2H]- 261.074446 157.3
[M]+ 240.09923142 162.3
[M]- 240.10032858 162.3
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