CID 104435

53207-39-9

Structural Information

Molecular Formula
C17H27NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)C(C)(C)CN(C)C
InChI
InChI=1S/C17H27NO/c1-16(2,3)14-10-8-13(9-11-14)15(19)17(4,5)12-18(6)7/h8-11H,12H2,1-7H3
InChIKey
AHYQKTPQRNBBCK-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 166.1
[M+Na]+ 284.19848 176.4
[M+NH4]+ 279.24308 173.4
[M+K]+ 300.17242 171.3
[M-H]- 260.20198 167.7
[M+Na-2H]- 282.18393 171.5
[M]+ 261.20871 168.1
[M]- 261.20981 168.1
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.