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

38
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 133.5
[M+Na]+ 187.09542 138.5
[M-H]- 163.09892 137.5
[M+NH4]+ 182.14002 152.9
[M+K]+ 203.06936 136.9
[M+H-H2O]+ 147.10346 126.3
[M+HCOO]- 209.10440 161.9
[M+CH3COO]- 223.12005 188.2
[M+Na-2H]- 185.08087 140.6
[M]+ 164.10565 128.4
[M]- 164.10675 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