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]+ 230.128776 149.6
[M+Na]+ 252.110718 156.8
[M-H]- 228.114224 157.3
[M+NH4]+ 247.155323 166.3
[M+K]+ 268.084658 154.3
[M+H-H2O]+ 212.118760 141.1
[M+HCOO]- 274.119701 171.6
[M+CH3COO]- 288.135351 162.1
[M+Na-2H]- 250.096166 151.9
[M]+ 229.12095142 146.9
[M]- 229.12204858 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.