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]+ 165.127396 134.7
[M+Na]+ 187.109338 143.5
[M-H]- 163.112844 137.9
[M+NH4]+ 182.153943 155.7
[M+K]+ 203.083278 141.4
[M+H-H2O]+ 147.117380 130.0
[M+HCOO]- 209.118321 156.4
[M+CH3COO]- 223.133971 181.1
[M+Na-2H]- 185.094786 138.2
[M]+ 164.11957142 135.5
[M]- 164.12066858 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.