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

17
Patents

222.96065 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.96793 127.8
[M+Na]+ 245.94987 130.9
[M-H]- 221.95337 122.4
[M+NH4]+ 240.99447 144.5
[M+K]+ 261.92381 135.4
[M+H-H2O]+ 205.95791 117.9
[M+HCOO]- 267.95885 147.2
[M+CH3COO]- 281.97450 180.0
[M+Na-2H]- 243.93532 121.7
[M]+ 222.96010 124.3
[M]- 222.96120 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