CID 53747061

3-(azetidin-3-yl)-1h-1,2,4-triazole dihydrochloride

Structural Information

Molecular Formula
C5H8N4
SMILES
C1C(CN1)C2=NC=NN2
InChI
InChI=1S/C5H8N4/c1-4(2-6-1)5-7-3-8-9-5/h3-4,6H,1-2H2,(H,7,8,9)
InChIKey
CYOLKBVDFPEWTH-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

124.0749 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.08218 121.8
[M+Na]+ 147.06412 128.2
[M+NH4]+ 142.10872 124.9
[M+K]+ 163.03806 127.3
[M-H]- 123.06762 118.7
[M+Na-2H]- 145.04957 125.4
[M]+ 124.07435 120.3
[M]- 124.07545 120.3
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