CID 19425045

2,2-diethyl-1-phenylbutan-1-one

Structural Information

Molecular Formula
C14H20O
SMILES
CCC(CC)(CC)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H20O/c1-4-14(5-2,6-3)13(15)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKey
CTCQYOXVMDXLJC-UHFFFAOYSA-N
Compound name
2,2-diethyl-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

204.15141 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 149.5
[M+Na]+ 227.14063 161.5
[M+NH4]+ 222.18523 157.8
[M+K]+ 243.11457 154.7
[M-H]- 203.14413 151.2
[M+Na-2H]- 225.12608 156.1
[M]+ 204.15086 151.8
[M]- 204.15196 151.8
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