CID 71776429

1,1-benzylmethylbiguanide hydrochloride

Structural Information

Molecular Formula
C10H16N5
SMILES
C[N+](=C(N)N=C(N)N)CC1=CC=CC=C1
InChI
InChI=1S/C10H15N5/c1-15(10(13)14-9(11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H5,11,12,13,14)/p+1
InChIKey
GPXUSYVWBVWXJU-UHFFFAOYSA-O
Compound name
[amino-(diaminomethylideneamino)methylidene]-benzyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.14056 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14784 145.2
[M+Na]+ 229.12978 153.9
[M+NH4]+ 224.17438 153.1
[M+K]+ 245.10372 150.5
[M-H]- 205.13328 150.8
[M+Na-2H]- 227.11523 151.6
[M]+ 206.14001 147.7
[M]- 206.14111 147.7
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.