CID 3720668

Dtxsid60395500

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.3
[M+Na]+ 215.067858 148.8
[M-H]- 191.071364 147.9
[M+NH4]+ 210.112463 152.9
[M+K]+ 231.041798 148.0
[M+H-H2O]+ 175.075900 132.5
[M+HCOO]- 237.076841 162.6
[M+CH3COO]- 251.092491 186.2
[M+Na-2H]- 213.053306 146.1
[M]+ 192.07809142 145.1
[M]- 192.07918858 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

No literature data available for this compound.

Patent stripe

patents stripe