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]+ 212.08367 146.4
[M+Na]+ 234.06561 153.1
[M-H]- 210.06911 152.7
[M+NH4]+ 229.11021 164.1
[M+K]+ 250.03955 149.7
[M+H-H2O]+ 194.07365 140.3
[M+HCOO]- 256.07459 162.5
[M+CH3COO]- 270.09024 186.2
[M+Na-2H]- 232.05106 151.1
[M]+ 211.07584 143.3
[M]- 211.07694 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.