CID 74347

1703-90-8

Structural Information

Molecular Formula
C16H24O
SMILES
CCCC(=O)C1=C(C=C(C=C1C)C(C)(C)C)C
InChI
InChI=1S/C16H24O/c1-7-8-14(17)15-11(2)9-13(10-12(15)3)16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKey
AXVCLVJCZWBTJZ-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-2,6-dimethylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 154.7
[M+Na]+ 255.171928 162.6
[M-H]- 231.175434 158.7
[M+NH4]+ 250.216533 173.8
[M+K]+ 271.145868 160.0
[M+H-H2O]+ 215.179970 149.5
[M+HCOO]- 277.180911 174.9
[M+CH3COO]- 291.196561 197.7
[M+Na-2H]- 253.157376 156.9
[M]+ 232.18216142 158.0
[M]- 232.18325858 158.0
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.