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

58
Patents

194.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.0
[M+Na]+ 217.083518 148.4
[M-H]- 193.087024 144.7
[M+NH4]+ 212.128123 160.6
[M+K]+ 233.057458 147.6
[M+H-H2O]+ 177.091560 134.9
[M+HCOO]- 239.092501 164.8
[M+CH3COO]- 253.108151 184.5
[M+Na-2H]- 215.068966 146.3
[M]+ 194.09375142 145.1
[M]- 194.09484858 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