CID 3053222

Brn 2975082

Structural Information

Molecular Formula
C15H18O2
SMILES
CC(CO)C1=CC=C(C=C1)C2=CC(=O)CCC2
InChI
InChI=1S/C15H18O2/c1-11(10-16)12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h5-9,11,16H,2-4,10H2,1H3
InChIKey
RMTOUNTZAKEVRA-UHFFFAOYSA-N
Compound name
3-[4-(1-hydroxypropan-2-yl)phenyl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 153.6
[M+Na]+ 253.11990 166.6
[M+NH4]+ 248.16450 162.2
[M+K]+ 269.09384 159.4
[M-H]- 229.12340 157.5
[M+Na-2H]- 251.10535 161.0
[M]+ 230.13013 156.5
[M]- 230.13123 156.5
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.