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
2
Annotation Hits

0
References

5862
Patents

332.27155 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 189.0
[M+Na]+ 355.26077 191.7
[M-H]- 331.26427 189.4
[M+NH4]+ 350.30537 202.3
[M+K]+ 371.23471 187.1
[M+H-H2O]+ 315.26881 181.8
[M+HCOO]- 377.26975 205.7
[M+CH3COO]- 391.28540 213.3
[M+Na-2H]- 353.24622 188.5
[M]+ 332.27100 193.2
[M]- 332.27210 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