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

41
Patents

164.1062 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.113476 133.5
[M+Na]+ 187.095418 138.5
[M-H]- 163.098924 137.5
[M+NH4]+ 182.140023 152.9
[M+K]+ 203.069358 136.9
[M+H-H2O]+ 147.103460 126.3
[M+HCOO]- 209.104401 161.9
[M+CH3COO]- 223.120051 188.2
[M+Na-2H]- 185.080866 140.6
[M]+ 164.10565142 128.4
[M]- 164.10674858 128.4
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

patents stripe