CID 13629549

2'-n-propoxyacetophenone

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

120
Patents

178.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.8
[M+Na]+ 201.08860 145.3
[M-H]- 177.09210 141.5
[M+NH4]+ 196.13320 158.1
[M+K]+ 217.06254 143.9
[M+H-H2O]+ 161.09664 132.0
[M+HCOO]- 223.09758 161.4
[M+CH3COO]- 237.11323 182.5
[M+Na-2H]- 199.07405 143.1
[M]+ 178.09883 140.4
[M]- 178.09993 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