CID 56381

1-amino-3-(o-chlorobenzyl)guanidine hydriodide

Structural Information

Molecular Formula
C8H11ClN4
SMILES
C1=CC=C(C(=C1)CN=C(N)NN)Cl
InChI
InChI=1S/C8H11ClN4/c9-7-4-2-1-3-6(7)5-12-8(10)13-11/h1-4H,5,11H2,(H3,10,12,13)
InChIKey
UNIZOJQZQBNABM-UHFFFAOYSA-N
Compound name
1-amino-2-[(2-chlorophenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06723 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07451 141.5
[M+Na]+ 221.05645 151.4
[M+NH4]+ 216.10105 149.7
[M+K]+ 237.03039 145.3
[M-H]- 197.05995 145.6
[M+Na-2H]- 219.04190 148.1
[M]+ 198.06668 144.0
[M]- 198.06778 144.0
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.