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]+ 209.11722 145.7
[M+Na]+ 231.09916 152.7
[M-H]- 207.10266 149.2
[M+NH4]+ 226.14376 164.7
[M+K]+ 247.07310 151.6
[M+H-H2O]+ 191.10720 139.5
[M+HCOO]- 253.10814 169.2
[M+CH3COO]- 267.12379 187.5
[M+Na-2H]- 229.08461 150.5
[M]+ 208.10939 150.2
[M]- 208.11049 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.