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]+ 204.087976 137.7
[M+Na]+ 226.069918 145.4
[M-H]- 202.073424 139.9
[M+NH4]+ 221.114523 143.1
[M+K]+ 242.043858 145.6
[M+H-H2O]+ 186.077960 122.3
[M+HCOO]- 248.078901 153.8
[M+CH3COO]- 262.094551 148.7
[M+Na-2H]- 224.055366 144.2
[M]+ 203.08015142 144.4
[M]- 203.08124858 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.