CID 3422186

1-{3-methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(=O)C1=CC(=C(C=C1)OCC2CO2)OC
InChI
InChI=1S/C12H14O4/c1-8(13)9-3-4-11(12(5-9)14-2)16-7-10-6-15-10/h3-5,10H,6-7H2,1-2H3
InChIKey
SEIIAIINWYFXFL-UHFFFAOYSA-N
Compound name
1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

222.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.8
[M+Na]+ 245.078418 156.7
[M-H]- 221.081924 155.5
[M+NH4]+ 240.123023 159.4
[M+K]+ 261.052358 155.9
[M+H-H2O]+ 205.086460 139.8
[M+HCOO]- 267.087401 169.9
[M+CH3COO]- 281.103051 192.2
[M+Na-2H]- 243.063866 152.4
[M]+ 222.08865142 154.8
[M]- 222.08974858 154.8
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