CID 14617

Phenyl-5-(pyrrolidinomethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1CCN(C1)CC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2O/c1-2-6-12(7-3-1)14-10-13(17-15-14)11-16-8-4-5-9-16/h1-3,6-7,10H,4-5,8-9,11H2
InChIKey
IEFFAOXMKNLERG-UHFFFAOYSA-N
Compound name
3-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.9
[M+Na]+ 251.11549 164.8
[M+NH4]+ 246.16009 160.7
[M+K]+ 267.08943 161.4
[M-H]- 227.11899 157.7
[M+Na-2H]- 249.10094 160.1
[M]+ 228.12572 155.4
[M]- 228.12682 155.4
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.