CID 15186068

3-ethyl-5-(pyrrolidin-2-yl)-1,2-oxazole hydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCC1=NOC(=C1)C2CCCN2
InChI
InChI=1S/C9H14N2O/c1-2-7-6-9(12-11-7)8-4-3-5-10-8/h6,8,10H,2-5H2,1H3
InChIKey
AVRBCQVMEHMRQS-UHFFFAOYSA-N
Compound name
3-ethyl-5-pyrrolidin-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.0
[M+Na]+ 189.099828 143.0
[M-H]- 165.103334 139.1
[M+NH4]+ 184.144433 155.2
[M+K]+ 205.073768 141.9
[M+H-H2O]+ 149.107870 128.9
[M+HCOO]- 211.108811 155.8
[M+CH3COO]- 225.124461 148.8
[M+Na-2H]- 187.085276 138.9
[M]+ 166.11006142 133.6
[M]- 166.11115858 133.6
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

patents stripe