CID 12103577

(1r,2r)-2-(benzyloxy)cyclopentan-1-ol

Structural Information

Molecular Formula
C12H16O2
SMILES
C1C[C@H]([C@@H](C1)OCC2=CC=CC=C2)O
InChI
InChI=1S/C12H16O2/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12-/m1/s1
InChIKey
ZLAPGVQTWHCDPT-VXGBXAGGSA-N
Compound name
(1R,2R)-2-phenylmethoxycyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.5
[M+Na]+ 215.10426 148.3
[M-H]- 191.10776 147.5
[M+NH4]+ 210.14886 162.9
[M+K]+ 231.07820 145.6
[M+H-H2O]+ 175.11230 136.4
[M+HCOO]- 237.11324 164.5
[M+CH3COO]- 251.12889 179.2
[M+Na-2H]- 213.08971 146.0
[M]+ 192.11449 140.2
[M]- 192.11559 140.2
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

patents stripe