CID 63031817

2243512-66-3

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CC1C2=NOC(=N2)C3CCNC3
InChI
InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2
InChIKey
UHWKRAJPWOGTQP-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

179.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 141.9
[M+Na]+ 202.095088 151.1
[M-H]- 178.098594 147.5
[M+NH4]+ 197.139693 154.3
[M+K]+ 218.069028 148.2
[M+H-H2O]+ 162.103130 133.6
[M+HCOO]- 224.104071 160.7
[M+CH3COO]- 238.119721 153.9
[M+Na-2H]- 200.080536 144.5
[M]+ 179.10532142 141.1
[M]- 179.10641858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.