CID 6366316

Einecs 300-599-1

Structural Information

Molecular Formula
C13H16O
SMILES
CCC(=O)/C(=C/C1=CC=CC=C1C)/C
InChI
InChI=1S/C13H16O/c1-4-13(14)11(3)9-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3/b11-9+
InChIKey
KGBNACBNXFDCAY-PKNBQFBNSA-N
Compound name
(E)-2-methyl-1-(2-methylphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 143.9
[M+Na]+ 211.10934 156.5
[M+NH4]+ 206.15394 152.2
[M+K]+ 227.08328 149.6
[M-H]- 187.11284 145.9
[M+Na-2H]- 209.09479 150.1
[M]+ 188.11957 146.2
[M]- 188.12067 146.2
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

No patent data available for this compound.