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]+ 237.98357 134.3
[M+Na]+ 259.96551 136.6
[M-H]- 235.96901 127.5
[M+NH4]+ 255.01011 149.8
[M+K]+ 275.93945 140.0
[M+H-H2O]+ 219.97355 124.4
[M+HCOO]- 281.97449 151.9
[M+CH3COO]- 295.99014 180.5
[M+Na-2H]- 257.95096 127.1
[M]+ 236.97574 129.4
[M]- 236.97684 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.