CID 80365427

4-iodo-1-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C4H6IN3
SMILES
CN1C(=C(C=N1)I)N
InChI
InChI=1S/C4H6IN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
InChIKey
XMDZFKOVJFGEGI-UHFFFAOYSA-N
Compound name
4-iodo-1-methylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.96065 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.967926 127.8
[M+Na]+ 245.949868 130.9
[M-H]- 221.953374 122.4
[M+NH4]+ 240.994473 144.5
[M+K]+ 261.923808 135.4
[M+H-H2O]+ 205.957910 117.9
[M+HCOO]- 267.958851 147.2
[M+CH3COO]- 281.974501 180.0
[M+Na-2H]- 243.935316 121.7
[M]+ 222.96010142 124.3
[M]- 222.96119858 124.3
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