CID 19005993

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

Structural Information

Molecular Formula
C5H8N4
SMILES
C1C(CN1)N2C=CN=N2
InChI
InChI=1S/C5H8N4/c1-2-9(8-7-1)5-3-6-4-5/h1-2,5-6H,3-4H2
InChIKey
NCACHQJLGMVJNS-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

124.0749 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.082176 121.3
[M+Na]+ 147.064118 128.3
[M-H]- 123.067624 121.1
[M+NH4]+ 142.108723 132.6
[M+K]+ 163.038058 129.4
[M+H-H2O]+ 107.072160 107.8
[M+HCOO]- 169.073101 139.4
[M+CH3COO]- 183.088751 170.1
[M+Na-2H]- 145.049566 128.0
[M]+ 124.07435142 126.4
[M]- 124.07544858 126.4
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

patents stripe