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

3
Patents

222.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 146.8
[M+Na]+ 245.07842 156.7
[M-H]- 221.08192 155.5
[M+NH4]+ 240.12302 159.4
[M+K]+ 261.05236 155.9
[M+H-H2O]+ 205.08646 139.8
[M+HCOO]- 267.08740 169.9
[M+CH3COO]- 281.10305 192.2
[M+Na-2H]- 243.06387 152.4
[M]+ 222.08865 154.8
[M]- 222.08975 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