CID 70682365

Chembl2064473

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=C([C@@](CC1)(C)C2=CCC(=CC2)CO)C
InChI
InChI=1S/C15H22O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4,7,16H,5-6,8-10H2,1-3H3/t15-/m0/s1
InChIKey
GMYASKWNAWMMGB-HNNXBMFYSA-N
Compound name
[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]cyclohexa-1,4-dien-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.16707 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.0
[M+Na]+ 241.15629 158.5
[M-H]- 217.15979 156.7
[M+NH4]+ 236.20089 173.2
[M+K]+ 257.13023 154.8
[M+H-H2O]+ 201.16433 145.9
[M+HCOO]- 263.16527 171.8
[M+CH3COO]- 277.18092 188.0
[M+Na-2H]- 239.14174 152.8
[M]+ 218.16652 149.4
[M]- 218.16762 149.4
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.