CID 18952

1-amino-3-benzylguanidine, hydriodide

Structural Information

Molecular Formula
C8H12N4
SMILES
C1=CC=C(C=C1)CN=C(N)NN
InChI
InChI=1S/C8H12N4/c9-8(12-10)11-6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H3,9,11,12)
InChIKey
SMXJSTNXPBXBOR-UHFFFAOYSA-N
Compound name
1-amino-2-benzylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

164.1062 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 135.6
[M+Na]+ 187.09542 144.2
[M+NH4]+ 182.14002 143.5
[M+K]+ 203.06936 138.8
[M-H]- 163.09892 139.6
[M+Na-2H]- 185.08087 142.3
[M]+ 164.10565 137.5
[M]- 164.10675 137.5
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

patents stripe