CID 112693857

3-ethyl-4-iodo-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C5H8IN3
SMILES
CCC1=C(C(=NN1)N)I
InChI
InChI=1S/C5H8IN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKey
RRMSKJNITACQHK-UHFFFAOYSA-N
Compound name
5-ethyl-4-iodo-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97629 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.983566 134.3
[M+Na]+ 259.965508 136.6
[M-H]- 235.969014 127.5
[M+NH4]+ 255.010113 149.8
[M+K]+ 275.939448 140.0
[M+H-H2O]+ 219.973550 124.4
[M+HCOO]- 281.974491 151.9
[M+CH3COO]- 295.990141 180.5
[M+Na-2H]- 257.950956 127.1
[M]+ 236.97574142 129.4
[M]- 236.97683858 129.4
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.