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 142.7
[M+Na]+ 221.05645 149.5
[M-H]- 197.05995 146.8
[M+NH4]+ 216.10105 161.8
[M+K]+ 237.03039 145.8
[M+H-H2O]+ 181.06449 136.6
[M+HCOO]- 243.06543 166.5
[M+CH3COO]- 257.08108 193.2
[M+Na-2H]- 219.04190 148.3
[M]+ 198.06668 140.1
[M]- 198.06778 140.1
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.