CID 5354491

Isobutyl styryl ketone

Structural Information

Molecular Formula
C13H16O
SMILES
CC(C)CC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
InChIKey
LLVCDRTZBYXKII-CMDGGOBGSA-N
Compound name
(E)-5-methyl-1-phenylhex-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

64
Patents

188.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 144.5
[M+Na]+ 211.10934 156.7
[M+NH4]+ 206.15394 152.8
[M+K]+ 227.08328 149.5
[M-H]- 187.11284 146.4
[M+Na-2H]- 209.09479 150.9
[M]+ 188.11957 146.7
[M]- 188.12067 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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