CID 36690444

105364-42-9

Structural Information

Molecular Formula
C11H16O
SMILES
C[C@H](C1=CC=C(C=C1)C(C)C)O
InChI
InChI=1S/C11H16O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9,12H,1-3H3/t9-/m1/s1
InChIKey
LPWMXVJCBUKVQH-SECBINFHSA-N
Compound name
(1R)-1-(4-propan-2-ylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.7
[M+Na]+ 187.10934 143.3
[M-H]- 163.11284 139.1
[M+NH4]+ 182.15394 156.9
[M+K]+ 203.08328 141.5
[M+H-H2O]+ 147.11738 131.5
[M+HCOO]- 209.11832 157.4
[M+CH3COO]- 223.13397 179.6
[M+Na-2H]- 185.09479 140.2
[M]+ 164.11957 136.0
[M]- 164.12067 136.0
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.