CID 100449

Benzylideneaminoguanidine

Structural Information

Molecular Formula
C8H10N4
SMILES
C1=CC=C(C=C1)C=NN=C(N)N
InChI
InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)
InChIKey
WNPXUCYRKHVMAD-UHFFFAOYSA-N
Compound name
2-(benzylideneamino)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

283
Patents

162.09055 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 132.5
[M+Na]+ 185.07977 138.2
[M-H]- 161.08327 137.9
[M+NH4]+ 180.12437 152.6
[M+K]+ 201.05371 136.9
[M+H-H2O]+ 145.08781 125.1
[M+HCOO]- 207.08875 162.6
[M+CH3COO]- 221.10440 189.8
[M+Na-2H]- 183.06522 140.1
[M]+ 162.09000 128.6
[M]- 162.09110 128.6
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.