CID 121553788

Rac-(2r,3r)-2-(1-phenyl-1h-pyrazol-5-yl)oxolan-3-amine hydrochloride

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1CO[C@H]([C@@H]1N)C2=CC=NN2C3=CC=CC=C3
InChI
InChI=1S/C13H15N3O/c14-11-7-9-17-13(11)12-6-8-15-16(12)10-4-2-1-3-5-10/h1-6,8,11,13H,7,9,14H2/t11-,13-/m1/s1
InChIKey
FHFZBXDOKCTNNY-DGCLKSJQSA-N
Compound name
(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 149.6
[M+Na]+ 252.11072 156.8
[M-H]- 228.11422 157.3
[M+NH4]+ 247.15532 166.3
[M+K]+ 268.08466 154.3
[M+H-H2O]+ 212.11876 141.1
[M+HCOO]- 274.11970 171.6
[M+CH3COO]- 288.13535 162.1
[M+Na-2H]- 250.09617 151.9
[M]+ 229.12095 146.9
[M]- 229.12205 146.9
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.