CID 138748

1-(2-methoxyphenoxy)propan-2-one

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(=O)COC1=CC=CC=C1OC
InChI
InChI=1S/C10H12O3/c1-8(11)7-13-10-6-4-3-5-9(10)12-2/h3-6H,7H2,1-2H3
InChIKey
GBBBWTDKOLEAOC-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

180.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 136.2
[M+Na]+ 203.067858 144.1
[M-H]- 179.071364 140.1
[M+NH4]+ 198.112463 156.4
[M+K]+ 219.041798 143.5
[M+H-H2O]+ 163.075900 130.4
[M+HCOO]- 225.076841 160.4
[M+CH3COO]- 239.092491 181.5
[M+Na-2H]- 201.053306 142.1
[M]+ 180.07809142 140.0
[M]- 180.07918858 140.0
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