CID 82655177

Rac-(2r,4r)-2-(thiophen-2-yl)oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C9H13NOS
SMILES
C1CO[C@H](C[C@@H]1N)C2=CC=CS2
InChI
InChI=1S/C9H13NOS/c10-7-3-4-11-8(6-7)9-2-1-5-12-9/h1-2,5,7-8H,3-4,6,10H2/t7-,8-/m1/s1
InChIKey
GBCJWEOHNRHUAJ-HTQZYQBOSA-N
Compound name
(2R,4R)-2-thiophen-2-yloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0718 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 137.7
[M+Na]+ 206.06102 144.2
[M-H]- 182.06452 144.5
[M+NH4]+ 201.10562 158.1
[M+K]+ 222.03496 142.5
[M+H-H2O]+ 166.06906 132.0
[M+HCOO]- 228.07000 155.0
[M+CH3COO]- 242.08565 150.8
[M+Na-2H]- 204.04647 139.5
[M]+ 183.07125 134.7
[M]- 183.07235 134.7
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.