CID 3039735

51155-15-8

Structural Information

Molecular Formula
C13H20O3
SMILES
CC1=CC(=CC(=C1O)C)[C@@H]([C@@H](C)CO)OC
InChI
InChI=1S/C13H20O3/c1-8-5-11(6-9(2)12(8)15)13(16-4)10(3)7-14/h5-6,10,13-15H,7H2,1-4H3/t10-,13+/m0/s1
InChIKey
DDKZMHXOHSFIPM-GXFFZTMASA-N
Compound name
4-[(1R,2S)-3-hydroxy-1-methoxy-2-methylpropyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 151.9
[M+Na]+ 247.13047 163.0
[M+NH4]+ 242.17507 158.8
[M+K]+ 263.10441 158.4
[M-H]- 223.13397 152.3
[M+Na-2H]- 245.11592 155.6
[M]+ 224.14070 153.4
[M]- 224.14180 153.4
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.