CID 15624538

54265-20-2

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1=CC(=O)CC(C1=C=CC(C)O)(C)C
InChI
InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5,7,10,14H,8H2,1-4H3
InChIKey
ZYHHDRRWYJNBAN-UHFFFAOYSA-N
Compound name
4-(3-hydroxybut-1-enylidene)-3,5,5-trimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 144.8
[M+Na]+ 229.119898 152.7
[M-H]- 205.123404 147.4
[M+NH4]+ 224.164503 165.9
[M+K]+ 245.093838 149.4
[M+H-H2O]+ 189.127940 141.0
[M+HCOO]- 251.128881 163.8
[M+CH3COO]- 265.144531 185.5
[M+Na-2H]- 227.105346 146.8
[M]+ 206.13013142 143.1
[M]- 206.13122858 143.1
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.