CID 12551839

2-ethyl-2-methyl-1-phenylbutan-1-one

Structural Information

Molecular Formula
C13H18O
SMILES
CCC(C)(CC)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H18O/c1-4-13(3,5-2)12(14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKey
BAMYJYAJTQULAM-UHFFFAOYSA-N
Compound name
2-ethyl-2-methyl-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

190.13577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 144.0
[M+Na]+ 213.124988 150.3
[M-H]- 189.128494 147.4
[M+NH4]+ 208.169593 163.8
[M+K]+ 229.098928 148.3
[M+H-H2O]+ 173.133030 138.5
[M+HCOO]- 235.133971 165.2
[M+CH3COO]- 249.149621 185.8
[M+Na-2H]- 211.110436 149.6
[M]+ 190.13522142 145.1
[M]- 190.13631858 145.1
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