CID 6366317

Einecs 300-600-5

Structural Information

Molecular Formula
C15H20O
SMILES
C/C=C/C(=O)C1=C(C=CC(=C1)C(C)(C)C)C
InChI
InChI=1S/C15H20O/c1-6-7-14(16)13-10-12(15(3,4)5)9-8-11(13)2/h6-10H,1-5H3/b7-6+
InChIKey
VJEAIPXARJXWIU-VOTSOKGWSA-N
Compound name
(E)-1-(5-tert-butyl-2-methylphenyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 152.5
[M+Na]+ 239.14063 165.1
[M+NH4]+ 234.18523 160.4
[M+K]+ 255.11457 158.4
[M-H]- 215.14413 154.1
[M+Na-2H]- 237.12608 158.3
[M]+ 216.15086 154.8
[M]- 216.15196 154.8
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.