CID 124511864

2059917-85-8

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 144.8
[M+Na]+ 234.06561 158.6
[M+NH4]+ 229.11021 154.8
[M+K]+ 250.03955 151.0
[M-H]- 210.06911 151.5
[M+Na-2H]- 232.05106 152.6
[M]+ 211.07584 149.0
[M]- 211.07694 149.0
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.