CID 4424997

4'-(methoxymethoxy)acetophenone

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(=O)C1=CC=C(C=C1)OCOC
InChI
InChI=1S/C10H12O3/c1-8(11)9-3-5-10(6-4-9)13-7-12-2/h3-6H,7H2,1-2H3
InChIKey
COTFBXSDYIBTBH-UHFFFAOYSA-N
Compound name
1-[4-(methoxymethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.2
[M+Na]+ 203.06786 144.1
[M-H]- 179.07136 140.1
[M+NH4]+ 198.11246 156.4
[M+K]+ 219.04180 143.5
[M+H-H2O]+ 163.07590 130.4
[M+HCOO]- 225.07684 160.4
[M+CH3COO]- 239.09249 181.5
[M+Na-2H]- 201.05331 142.1
[M]+ 180.07809 140.0
[M]- 180.07919 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe