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

16
Patents

124.0749 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.08218 121.3
[M+Na]+ 147.06412 128.3
[M-H]- 123.06762 121.1
[M+NH4]+ 142.10872 132.6
[M+K]+ 163.03806 129.4
[M+H-H2O]+ 107.07216 107.8
[M+HCOO]- 169.07310 139.4
[M+CH3COO]- 183.08875 170.1
[M+Na-2H]- 145.04957 128.0
[M]+ 124.07435 126.4
[M]- 124.07545 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