CID 83383902

(4-iodo-1-methyl-1h-pyrazol-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C5H8IN3
SMILES
CN1C(=C(C=N1)I)CN
InChI
InChI=1S/C5H8IN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3
InChIKey
GHZUARBTBXHLND-UHFFFAOYSA-N
Compound name
(4-iodo-1-methylpyrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97629 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.983566 132.6
[M+Na]+ 259.965508 135.3
[M-H]- 235.969014 127.1
[M+NH4]+ 255.010113 148.8
[M+K]+ 275.939448 139.5
[M+H-H2O]+ 219.973550 122.5
[M+HCOO]- 281.974491 151.7
[M+CH3COO]- 295.990141 182.9
[M+Na-2H]- 257.950956 126.0
[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.