CID 6347411

1,1-methylphenylbiguanide hydrochloride

Structural Information

Molecular Formula
C9H14N5
SMILES
C[N+](=C(N)N=C(N)N)C1=CC=CC=C1
InChI
InChI=1S/C9H13N5/c1-14(9(12)13-8(10)11)7-5-3-2-4-6-7/h2-6H,1H3,(H5,10,11,12,13)/p+1
InChIKey
JQKRYDDFEZVDPR-UHFFFAOYSA-O
Compound name
[amino-(diaminomethylideneamino)methylidene]-methyl-phenylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.12492 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13220 140.0
[M+Na]+ 215.11414 143.9
[M-H]- 191.11764 145.1
[M+NH4]+ 210.15874 157.8
[M+K]+ 231.08808 137.8
[M+H-H2O]+ 175.12218 135.0
[M+HCOO]- 237.12312 167.8
[M+CH3COO]- 251.13877 191.0
[M+Na-2H]- 213.09959 146.2
[M]+ 192.12437 132.2
[M]- 192.12547 132.2
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.