CID 129011620

1,3-bis(4-(2-methylpropyl)phenyl)butan-1-one

Structural Information

Molecular Formula
C24H32O
SMILES
CC(C)CC1=CC=C(C=C1)C(C)CC(=O)C2=CC=C(C=C2)CC(C)C
InChI
InChI=1S/C24H32O/c1-17(2)14-20-6-10-22(11-7-20)19(5)16-24(25)23-12-8-21(9-13-23)15-18(3)4/h6-13,17-19H,14-16H2,1-5H3
InChIKey
QJBUYPFVSVNYDO-UHFFFAOYSA-N
Compound name
1,3-bis[4-(2-methylpropyl)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.24533 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.25261 186.7
[M+Na]+ 359.23455 189.9
[M-H]- 335.23805 192.1
[M+NH4]+ 354.27915 200.0
[M+K]+ 375.20849 185.7
[M+H-H2O]+ 319.24259 178.3
[M+HCOO]- 381.24353 204.0
[M+CH3COO]- 395.25918 218.8
[M+Na-2H]- 357.22000 183.1
[M]+ 336.24478 188.3
[M]- 336.24588 188.3
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.