CID 56766281

1351591-40-6

Structural Information

Molecular Formula
C8H11N3O
SMILES
C1CC1C2=NOC(=N2)C3CNC3
InChI
InChI=1S/C8H11N3O/c1-2-5(1)7-10-8(12-11-7)6-3-9-4-6/h5-6,9H,1-4H2
InChIKey
NLDFDJOBRPOQHK-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09021 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 133.8
[M+Na]+ 188.07943 142.4
[M-H]- 164.08293 139.3
[M+NH4]+ 183.12403 139.4
[M+K]+ 204.05337 142.6
[M+H-H2O]+ 148.08747 120.8
[M+HCOO]- 210.08841 152.0
[M+CH3COO]- 224.10406 145.6
[M+Na-2H]- 186.06488 139.0
[M]+ 165.08966 142.4
[M]- 165.09076 142.4
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.