CID 63365370

(1r)-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C11H16O2
SMILES
C[C@H](C1=CC(=CC=C1)OC(C)C)O
InChI
InChI=1S/C11H16O2/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-9,12H,1-3H3/t9-/m1/s1
InChIKey
LBNKLYCKUMWXNX-SECBINFHSA-N
Compound name
(1R)-1-(3-propan-2-yloxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 140.1
[M+Na]+ 203.10426 146.6
[M-H]- 179.10776 142.5
[M+NH4]+ 198.14886 159.6
[M+K]+ 219.07820 145.4
[M+H-H2O]+ 163.11230 134.6
[M+HCOO]- 225.11324 161.0
[M+CH3COO]- 239.12889 181.6
[M+Na-2H]- 201.08971 143.6
[M]+ 180.11449 140.9
[M]- 180.11559 140.9
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.