CID 91749580

2-(3-hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1=C(C=C(C=C1)C(C)C(=O)C=C(C)C)O
InChI
InChI=1S/C14H18O2/c1-9(2)7-14(16)11(4)12-6-5-10(3)13(15)8-12/h5-8,11,15H,1-4H3
InChIKey
WZHLEYQOLDOTEY-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methylphenyl)-5-methylhex-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 151.5
[M+Na]+ 241.11990 162.9
[M+NH4]+ 236.16450 158.6
[M+K]+ 257.09384 157.6
[M-H]- 217.12340 152.3
[M+Na-2H]- 239.10535 155.8
[M]+ 218.13013 153.2
[M]- 218.13123 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.