CID 62388483

5-(propan-2-yl)-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC(C)C1=NC(=NO1)C2CCCN2
InChI
InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKey
WKTDGUSTKNDUEI-UHFFFAOYSA-N
Compound name
5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.128776 140.9
[M+Na]+ 204.110718 147.6
[M-H]- 180.114224 142.8
[M+NH4]+ 199.155323 158.1
[M+K]+ 220.084658 146.9
[M+H-H2O]+ 164.118760 132.9
[M+HCOO]- 226.119701 158.4
[M+CH3COO]- 240.135351 152.8
[M+Na-2H]- 202.096166 142.3
[M]+ 181.12095142 138.4
[M]- 181.12204858 138.4
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.