CID 11830934

Chembl5277383

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC(=C(C=C1)O)[C@]2(CCCC2(C)C)C
InChI
InChI=1S/C15H22O/c1-11-6-7-13(16)12(10-11)15(4)9-5-8-14(15,2)3/h6-7,10,16H,5,8-9H2,1-4H3/t15-/m1/s1
InChIKey
OJURUWLXPJSRPZ-OAHLLOKOSA-N
Compound name
4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.16707 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 149.0
[M+Na]+ 241.15629 157.5
[M-H]- 217.15979 155.1
[M+NH4]+ 236.20089 173.3
[M+K]+ 257.13023 154.0
[M+H-H2O]+ 201.16433 144.6
[M+HCOO]- 263.16527 169.8
[M+CH3COO]- 277.18092 187.8
[M+Na-2H]- 239.14174 152.2
[M]+ 218.16652 147.9
[M]- 218.16762 147.9
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.