CID 12831626

4-iodo-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C3H4IN3
SMILES
C1=NNC(=C1I)N
InChI
InChI=1S/C3H4IN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7)
InChIKey
CPVCVVMJPIOKMN-UHFFFAOYSA-N
Compound name
4-iodo-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

208.94499 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.95227 125.4
[M+Na]+ 231.93421 127.6
[M-H]- 207.93771 118.4
[M+NH4]+ 226.97881 141.6
[M+K]+ 247.90815 131.4
[M+H-H2O]+ 191.94225 115.5
[M+HCOO]- 253.94319 143.6
[M+CH3COO]- 267.95884 173.6
[M+Na-2H]- 229.91966 119.9
[M]+ 208.94444 119.3
[M]- 208.94554 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe