CID 43413936

1-[4-(2-methoxyethyl)phenoxy]propan-2-one

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(=O)COC1=CC=C(C=C1)CCOC
InChI
InChI=1S/C12H16O3/c1-10(13)9-15-12-5-3-11(4-6-12)7-8-14-2/h3-6H,7-9H2,1-2H3
InChIKey
IPXLSOMKQNTBRC-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethyl)phenoxy]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 145.7
[M+Na]+ 231.099158 152.7
[M-H]- 207.102664 149.2
[M+NH4]+ 226.143763 164.7
[M+K]+ 247.073098 151.6
[M+H-H2O]+ 191.107200 139.5
[M+HCOO]- 253.108141 169.2
[M+CH3COO]- 267.123791 187.5
[M+Na-2H]- 229.084606 150.5
[M]+ 208.10939142 150.2
[M]- 208.11048858 150.2
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

No patent data available for this compound.