CID 3864137

2-{[(3,4-dimethoxyphenyl)methoxy]methyl}oxirane

Structural Information

Molecular Formula
C12H16O4
SMILES
COC1=C(C=C(C=C1)COCC2CO2)OC
InChI
InChI=1S/C12H16O4/c1-13-11-4-3-9(5-12(11)14-2)6-15-7-10-8-16-10/h3-5,10H,6-8H2,1-2H3
InChIKey
HXJFFWGEHYIYMQ-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 149.6
[M+Na]+ 247.09408 163.8
[M+NH4]+ 242.13868 158.0
[M+K]+ 263.06802 159.3
[M-H]- 223.09758 160.5
[M+Na-2H]- 245.07953 158.5
[M]+ 224.10431 155.9
[M]- 224.10541 155.9
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