CID 60136780

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

Structural Information

Molecular Formula
C5H8IN3
SMILES
CCN1C=C(C(=N1)N)I
InChI
InChI=1S/C5H8IN3/c1-2-9-3-4(6)5(7)8-9/h3H,2H2,1H3,(H2,7,8)
InChIKey
PHFGHIKAFVDOJM-UHFFFAOYSA-N
Compound name
1-ethyl-4-iodopyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97629 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98357 132.6
[M+Na]+ 259.96551 135.3
[M-H]- 235.96901 127.1
[M+NH4]+ 255.01011 148.8
[M+K]+ 275.93945 139.5
[M+H-H2O]+ 219.97355 122.5
[M+HCOO]- 281.97449 151.7
[M+CH3COO]- 295.99014 182.9
[M+Na-2H]- 257.95096 126.0
[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.