CID 101699843

7-(1,3-cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(CC1=CC=CCC1)C(C(=O)C=C(C)C)O
InChI
InChI=1S/C15H22O2/c1-11(2)9-14(16)15(17)12(3)10-13-7-5-4-6-8-13/h4-5,7,9,12,15,17H,6,8,10H2,1-3H3
InChIKey
ZKNLFTOBEMGDRP-UHFFFAOYSA-N
Compound name
7-cyclohexa-1,3-dien-1-yl-5-hydroxy-2,6-dimethylhept-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 158.4
[M+Na]+ 257.15121 161.4
[M-H]- 233.15471 159.4
[M+NH4]+ 252.19581 175.0
[M+K]+ 273.12515 159.1
[M+H-H2O]+ 217.15925 152.3
[M+HCOO]- 279.16019 174.8
[M+CH3COO]- 293.17584 192.3
[M+Na-2H]- 255.13666 156.9
[M]+ 234.16144 156.0
[M]- 234.16254 156.0
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.