CID 12860107

Rac-(1r,2r)-2-phenoxycyclopentan-1-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1C[C@H]([C@@H](C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C11H14O2/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-/m1/s1
InChIKey
AXHUIGRWVHNKNK-GHMZBOCLSA-N
Compound name
(1R,2R)-2-phenoxycyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.9
[M+Na]+ 201.08860 144.1
[M-H]- 177.09210 143.0
[M+NH4]+ 196.13320 158.9
[M+K]+ 217.06254 141.7
[M+H-H2O]+ 161.09664 131.9
[M+HCOO]- 223.09758 160.2
[M+CH3COO]- 237.11323 176.2
[M+Na-2H]- 199.07405 142.0
[M]+ 178.09883 135.2
[M]- 178.09993 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.