CID 124511864

Rac-(2r,3s)-2-(4-chlorophenyl)oxan-3-amine hydrochloride

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C1C[C@H]([C@@H](OC1)C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H14ClNO/c12-9-5-3-8(4-6-9)11-10(13)2-1-7-14-11/h3-6,10-11H,1-2,7,13H2/t10-,11+/m1/s1
InChIKey
MBOGMXCWDYSYPI-MNOVXSKESA-N
Compound name
(2S,3R)-2-(4-chlorophenyl)oxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.4
[M+Na]+ 234.065608 153.1
[M-H]- 210.069114 152.7
[M+NH4]+ 229.110213 164.1
[M+K]+ 250.039548 149.7
[M+H-H2O]+ 194.073650 140.3
[M+HCOO]- 256.074591 162.5
[M+CH3COO]- 270.090241 186.2
[M+Na-2H]- 232.051056 151.1
[M]+ 211.07584142 143.3
[M]- 211.07693858 143.3
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.