CID 10868240

2-[(1s,2r)-2-(hydroxymethyl)-1,2-dimethylcyclopentyl]-4-methylphenol

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=CC(=C(C=C1)O)[C@]2(CCC[C@@]2(C)CO)C
InChI
InChI=1S/C15H22O2/c1-11-5-6-13(17)12(9-11)15(3)8-4-7-14(15,2)10-16/h5-6,9,16-17H,4,7-8,10H2,1-3H3/t14-,15+/m0/s1
InChIKey
AOYZAQMDZPHFIS-LSDHHAIUSA-N
Compound name
2-[(1S,2R)-2-(hydroxymethyl)-1,2-dimethylcyclopentyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 153.5
[M+Na]+ 257.15121 161.5
[M-H]- 233.15471 158.2
[M+NH4]+ 252.19581 176.3
[M+K]+ 273.12515 157.6
[M+H-H2O]+ 217.15925 149.3
[M+HCOO]- 279.16019 173.0
[M+CH3COO]- 293.17584 187.3
[M+Na-2H]- 255.13666 156.3
[M]+ 234.16144 152.0
[M]- 234.16254 152.0
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.