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
trans-(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]+ 179.106656 137.9
[M+Na]+ 201.088598 144.1
[M-H]- 177.092104 143.0
[M+NH4]+ 196.133203 158.9
[M+K]+ 217.062538 141.7
[M+H-H2O]+ 161.096640 131.9
[M+HCOO]- 223.097581 160.2
[M+CH3COO]- 237.113231 176.2
[M+Na-2H]- 199.074046 142.0
[M]+ 178.09883142 135.2
[M]- 178.09992858 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.