CID 86775380

Rac-[(2r,3s)-2-(4-fluorophenyl)oxolan-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C11H14FNO
SMILES
C1CO[C@H]([C@@H]1CN)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FNO/c12-10-3-1-8(2-4-10)11-9(7-13)5-6-14-11/h1-4,9,11H,5-7,13H2/t9-,11-/m0/s1
InChIKey
CZRSRGHNHYPTDU-ONGXEEELSA-N
Compound name
[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11322 141.2
[M+Na]+ 218.09516 148.2
[M-H]- 194.09866 146.7
[M+NH4]+ 213.13976 160.6
[M+K]+ 234.06910 146.1
[M+H-H2O]+ 178.10320 134.1
[M+HCOO]- 240.10414 163.2
[M+CH3COO]- 254.11979 184.7
[M+Na-2H]- 216.08061 144.7
[M]+ 195.10539 137.2
[M]- 195.10649 137.2
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

No patent data available for this compound.