CID 79814

1-(4-butoxyphenyl)ethanone

Structural Information

Molecular Formula
C12H16O2
SMILES
CCCCOC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3
InChIKey
YYLCJWIQUFHYMY-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

246
Patents

192.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 143.0
[M+Na]+ 215.10426 155.6
[M+NH4]+ 210.14886 151.3
[M+K]+ 231.07820 148.8
[M-H]- 191.10776 145.0
[M+Na-2H]- 213.08971 149.5
[M]+ 192.11449 145.4
[M]- 192.11559 145.4
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