CID 12081724

1-[4-(2-methoxyethoxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(=O)C1=CC=C(C=C1)OCCOC
InChI
InChI=1S/C11H14O3/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6H,7-8H2,1-2H3
InChIKey
GLPSAHHQQBCBEN-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

194.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.0
[M+Na]+ 217.08352 148.4
[M-H]- 193.08702 144.7
[M+NH4]+ 212.12812 160.6
[M+K]+ 233.05746 147.6
[M+H-H2O]+ 177.09156 134.9
[M+HCOO]- 239.09250 164.8
[M+CH3COO]- 253.10815 184.5
[M+Na-2H]- 215.06897 146.3
[M]+ 194.09375 145.1
[M]- 194.09485 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