CID 80365036

4-iodo-3-(propan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C6H10IN3
SMILES
CC(C)C1=C(C(=NN1)N)I
InChI
InChI=1S/C6H10IN3/c1-3(2)5-4(7)6(8)10-9-5/h3H,1-2H3,(H3,8,9,10)
InChIKey
AWFISDYHVWVZBO-UHFFFAOYSA-N
Compound name
4-iodo-5-propan-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.99194 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.99922 139.2
[M+Na]+ 273.98116 140.9
[M-H]- 249.98466 132.4
[M+NH4]+ 269.02576 154.1
[M+K]+ 289.95510 144.4
[M+H-H2O]+ 233.98920 129.2
[M+HCOO]- 295.99014 155.6
[M+CH3COO]- 310.00579 184.1
[M+Na-2H]- 271.96661 130.3
[M]+ 250.99139 134.0
[M]- 250.99249 134.0
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.