CID 136574827

3-(azetidin-2-yl)-1,2,4-oxadiazole hydrochloride

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1CNC1C2=NOC=N2
InChI
InChI=1S/C5H7N3O/c1-2-6-4(1)5-7-3-9-8-5/h3-4,6H,1-2H2
InChIKey
YNDOBOGYVHBOSS-UHFFFAOYSA-N
Compound name
3-(azetidin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.058914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 117.0
[M+Na]+ 148.048132 123.9
[M-H]- 124.051638 118.8
[M+NH4]+ 143.092737 128.3
[M+K]+ 164.022072 126.5
[M+H-H2O]+ 108.056174 104.5
[M+HCOO]- 170.057115 135.8
[M+CH3COO]- 184.072765 169.0
[M+Na-2H]- 146.033580 124.7
[M]+ 125.05836542 123.6
[M]- 125.05946258 123.6
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.