CID 46737147

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=NOC(=N1)C2CNC2
InChI
InChI=1S/C6H9N3O/c1-4-8-6(10-9-4)5-2-7-3-5/h5,7H,2-3H2,1H3
InChIKey
YJUTYBZBQLBFJO-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

139.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 122.5
[M+Na]+ 162.06377 129.9
[M-H]- 138.06727 124.6
[M+NH4]+ 157.10837 133.6
[M+K]+ 178.03771 132.2
[M+H-H2O]+ 122.07181 110.2
[M+HCOO]- 184.07275 141.0
[M+CH3COO]- 198.08840 173.0
[M+Na-2H]- 160.04922 128.9
[M]+ 139.07400 129.9
[M]- 139.07510 129.9
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

patents stripe