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]+ 199.074506 142.7
[M+Na]+ 221.056448 149.5
[M-H]- 197.059954 146.8
[M+NH4]+ 216.101053 161.8
[M+K]+ 237.030388 145.8
[M+H-H2O]+ 181.064490 136.6
[M+HCOO]- 243.065431 166.5
[M+CH3COO]- 257.081081 193.2
[M+Na-2H]- 219.041896 148.3
[M]+ 198.06668142 140.1
[M]- 198.06777858 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.