CID 132342073

1-(azetidin-3-yl)-5-iodo-1h-1,2,3-triazole dihydrochloride

Structural Information

Molecular Formula
C5H7IN4
SMILES
C1C(CN1)N2C(=CN=N2)I
InChI
InChI=1S/C5H7IN4/c6-5-3-8-9-10(5)4-1-7-2-4/h3-4,7H,1-2H2
InChIKey
HQFLMGHFCICRPR-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-5-iodotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.97154 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97882 127.6
[M+Na]+ 272.96076 128.7
[M-H]- 248.96426 121.2
[M+NH4]+ 268.00536 134.3
[M+K]+ 288.93470 134.8
[M+H-H2O]+ 232.96880 111.6
[M+HCOO]- 294.96974 141.1
[M+CH3COO]- 308.98539 182.7
[M+Na-2H]- 270.94621 122.3
[M]+ 249.97099 130.6
[M]- 249.97209 130.6
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.