CID 14619

Isoxazole, 5-phenyl-3-(pyrrolidinomethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1CCN(C1)CC2=NOC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2O/c1-2-6-12(7-3-1)14-10-13(15-17-14)11-16-8-4-5-9-16/h1-3,6-7,10H,4-5,8-9,11H2
InChIKey
AXTKGVVWLQEBNI-UHFFFAOYSA-N
Compound name
5-phenyl-3-(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 150.2
[M+Na]+ 251.11549 156.9
[M-H]- 227.11899 157.7
[M+NH4]+ 246.16009 167.2
[M+K]+ 267.08943 154.7
[M+H-H2O]+ 211.12353 141.6
[M+HCOO]- 273.12447 171.4
[M+CH3COO]- 287.14012 162.7
[M+Na-2H]- 249.10094 152.9
[M]+ 228.12572 148.9
[M]- 228.12682 148.9
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.