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]+ 219.174346 151.0
[M+Na]+ 241.156288 158.5
[M-H]- 217.159794 156.7
[M+NH4]+ 236.200893 173.2
[M+K]+ 257.130228 154.8
[M+H-H2O]+ 201.164330 145.9
[M+HCOO]- 263.165271 171.8
[M+CH3COO]- 277.180921 188.0
[M+Na-2H]- 239.141736 152.8
[M]+ 218.16652142 149.4
[M]- 218.16761858 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

literature stripe

Patent stripe

No patent data available for this compound.