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

8
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 148.2
[M+Na]+ 247.09408 158.0
[M-H]- 223.09758 156.8
[M+NH4]+ 242.13868 160.9
[M+K]+ 263.06802 157.5
[M+H-H2O]+ 207.10212 141.0
[M+HCOO]- 269.10306 172.0
[M+CH3COO]- 283.11871 192.2
[M+Na-2H]- 245.07953 154.9
[M]+ 224.10431 157.4
[M]- 224.10541 157.4
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