CID 19349920

4-(methylamino)benzene-1-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C8H11N3
SMILES
CNC1=CC=C(C=C1)C(=N)N
InChI
InChI=1S/C8H11N3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,11H,1H3,(H3,9,10)
InChIKey
TYYHBFZDQVQALI-UHFFFAOYSA-N
Compound name
4-(methylamino)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

149.09529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 130.6
[M+Na]+ 172.084508 136.9
[M-H]- 148.088014 134.1
[M+NH4]+ 167.129113 150.7
[M+K]+ 188.058448 134.6
[M+H-H2O]+ 132.092550 124.3
[M+HCOO]- 194.093491 157.1
[M+CH3COO]- 208.109141 183.5
[M+Na-2H]- 170.069956 137.1
[M]+ 149.09474142 125.9
[M]- 149.09583858 125.9
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