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

11
Patents

224.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 148.2
[M+Na]+ 247.094078 158.0
[M-H]- 223.097584 156.8
[M+NH4]+ 242.138683 160.9
[M+K]+ 263.068018 157.5
[M+H-H2O]+ 207.102120 141.0
[M+HCOO]- 269.103061 172.0
[M+CH3COO]- 283.118711 192.2
[M+Na-2H]- 245.079526 154.9
[M]+ 224.10431142 157.4
[M]- 224.10540858 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