CID 122164199

4-(5-iodo-1h-1,2,3-triazol-1-yl)piperidine

Structural Information

Molecular Formula
C7H11IN4
SMILES
C1CNCCC1N2C(=CN=N2)I
InChI
InChI=1S/C7H11IN4/c8-7-5-10-11-12(7)6-1-3-9-4-2-6/h5-6,9H,1-4H2
InChIKey
LPMQXUFRYRUIMY-UHFFFAOYSA-N
Compound name
4-(5-iodotriazol-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.00284 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01012 137.4
[M+Na]+ 300.99206 137.4
[M-H]- 276.99556 130.0
[M+NH4]+ 296.03666 148.4
[M+K]+ 316.96600 140.2
[M+H-H2O]+ 261.00010 124.9
[M+HCOO]- 323.00104 149.0
[M+CH3COO]- 337.01669 144.5
[M+Na-2H]- 298.97751 130.6
[M]+ 278.00229 129.2
[M]- 278.00339 129.2
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.