CID 49657861

1426290-16-5

Structural Information

Molecular Formula
C9H9N5O
SMILES
C1C(CN1)C2=NC(=NO2)C3=NC=CC=N3
InChI
InChI=1S/C9H9N5O/c1-2-11-7(12-3-1)8-13-9(15-14-8)6-4-10-5-6/h1-3,6,10H,4-5H2
InChIKey
UJVPMAMZAOMHMV-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08798 137.7
[M+Na]+ 226.06992 145.4
[M-H]- 202.07342 139.9
[M+NH4]+ 221.11452 143.1
[M+K]+ 242.04386 145.6
[M+H-H2O]+ 186.07796 122.3
[M+HCOO]- 248.07890 153.8
[M+CH3COO]- 262.09455 148.7
[M+Na-2H]- 224.05537 144.2
[M]+ 203.08015 144.4
[M]- 203.08125 144.4
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.