CID 3018175

4'-methyl-4-(p-tolyl)butyrophenone

Structural Information

Molecular Formula
C18H20O
SMILES
CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H20O/c1-14-6-10-16(11-7-14)4-3-5-18(19)17-12-8-15(2)9-13-17/h6-13H,3-5H2,1-2H3
InChIKey
WJZFUWHFSTYLIY-UHFFFAOYSA-N
Compound name
1,4-bis(4-methylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.158686 159.7
[M+Na]+ 275.140628 166.5
[M-H]- 251.144134 166.2
[M+NH4]+ 270.185233 176.9
[M+K]+ 291.114568 162.2
[M+H-H2O]+ 235.148670 152.2
[M+HCOO]- 297.149611 182.2
[M+CH3COO]- 311.165261 198.4
[M+Na-2H]- 273.126076 163.0
[M]+ 252.15086142 161.1
[M]- 252.15195858 161.1
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

No patent data available for this compound.