CID 3867422

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

Structural Information

Molecular Formula
C11H12O3
SMILES
CC(=O)C1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C11H12O3/c1-8(12)9-2-4-10(5-3-9)13-6-11-7-14-11/h2-5,11H,6-7H2,1H3
InChIKey
HBJRNQOAQXJYPB-UHFFFAOYSA-N
Compound name
1-[4-(oxiran-2-ylmethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

192.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.3
[M+Na]+ 215.06786 148.8
[M-H]- 191.07136 147.9
[M+NH4]+ 210.11246 152.9
[M+K]+ 231.04180 148.0
[M+H-H2O]+ 175.07590 132.5
[M+HCOO]- 237.07684 162.6
[M+CH3COO]- 251.09249 186.2
[M+Na-2H]- 213.05331 146.1
[M]+ 192.07809 145.1
[M]- 192.07919 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe