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]+ 182.12878 140.9
[M+Na]+ 204.11072 147.6
[M-H]- 180.11422 142.8
[M+NH4]+ 199.15532 158.1
[M+K]+ 220.08466 146.9
[M+H-H2O]+ 164.11876 132.9
[M+HCOO]- 226.11970 158.4
[M+CH3COO]- 240.13535 152.8
[M+Na-2H]- 202.09617 142.3
[M]+ 181.12095 138.4
[M]- 181.12205 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.