CID 10632899

1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C12H16O4
SMILES
CC(=O)C1=CC(=C(C=C1)OCCOC)OC
InChI
InChI=1S/C12H16O4/c1-9(13)10-4-5-11(12(8-10)15-3)16-7-6-14-2/h4-5,8H,6-7H2,1-3H3
InChIKey
VOCYQUPSLZKLLG-UHFFFAOYSA-N
Compound name
1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 147.8
[M+Na]+ 247.09408 155.6
[M-H]- 223.09758 151.7
[M+NH4]+ 242.13868 166.4
[M+K]+ 263.06802 155.1
[M+H-H2O]+ 207.10212 141.5
[M+HCOO]- 269.10306 171.5
[M+CH3COO]- 283.11871 190.8
[M+Na-2H]- 245.07953 151.9
[M]+ 224.10431 154.1
[M]- 224.10541 154.1
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