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 144.6
[M+Na]+ 229.12978 148.1
[M-H]- 205.13328 149.5
[M+NH4]+ 224.17438 161.9
[M+K]+ 245.10372 141.7
[M+H-H2O]+ 189.13782 139.4
[M+HCOO]- 251.13876 172.0
[M+CH3COO]- 265.15441 194.1
[M+Na-2H]- 227.11523 150.3
[M]+ 206.14001 137.1
[M]- 206.14111 137.1
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.