CID 25324365

(1s)-1-(2,4,5-trimethylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=CC(=C(C=C1C)[C@H](C)O)C
InChI
InChI=1S/C11H16O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6,10,12H,1-4H3/t10-/m0/s1
InChIKey
HETNQTUDBNSWTI-JTQLQIEISA-N
Compound name
(1S)-1-(2,4,5-trimethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 134.7
[M+Na]+ 187.10934 143.5
[M-H]- 163.11284 137.9
[M+NH4]+ 182.15394 155.7
[M+K]+ 203.08328 141.4
[M+H-H2O]+ 147.11738 130.0
[M+HCOO]- 209.11832 156.4
[M+CH3COO]- 223.13397 181.1
[M+Na-2H]- 185.09479 138.2
[M]+ 164.11957 135.5
[M]- 164.12067 135.5
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.