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

13
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

patents stripe