CID 19802986

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

No literature data available for this compound.

Patent stripe

patents stripe