CID 13629549

7191-38-0

Structural Information

Molecular Formula
C11H14O2
SMILES
CCCOC1=CC=CC=C1C(=O)C
InChI
InChI=1S/C11H14O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h4-7H,3,8H2,1-2H3
InChIKey
BOKCYXGTJYZHBA-UHFFFAOYSA-N
Compound name
1-(2-propoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

178.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.8
[M+Na]+ 201.088598 145.3
[M-H]- 177.092104 141.5
[M+NH4]+ 196.133203 158.1
[M+K]+ 217.062538 143.9
[M+H-H2O]+ 161.096640 132.0
[M+HCOO]- 223.097581 161.4
[M+CH3COO]- 237.113231 182.5
[M+Na-2H]- 199.074046 143.1
[M]+ 178.09883142 140.4
[M]- 178.09992858 140.4
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