CID 112290

1-(4-dodecylphenyl)-2-hydroxy-2-methylpropan-1-one

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C(C)(C)O
InChI
InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(23)22(2,3)24/h15-18,24H,4-14H2,1-3H3
InChIKey
MLKIVXXYTZKNMI-UHFFFAOYSA-N
Compound name
1-(4-dodecylphenyl)-2-hydroxy-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5491
Patents

332.27155 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.278826 189.0
[M+Na]+ 355.260768 191.7
[M-H]- 331.264274 189.4
[M+NH4]+ 350.305373 202.3
[M+K]+ 371.234708 187.1
[M+H-H2O]+ 315.268810 181.8
[M+HCOO]- 377.269751 205.7
[M+CH3COO]- 391.285401 213.3
[M+Na-2H]- 353.246216 188.5
[M]+ 332.27100142 193.2
[M]- 332.27209858 193.2
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