CID 5746706

1-(2,6-dichlorophenyl)-4,4-dimethyl-aminoguanidine hydrochloride

Structural Information

Molecular Formula
C9H12Cl2N4
SMILES
CN(C)/C(=N\NC1=C(C=CC=C1Cl)Cl)/N
InChI
InChI=1S/C9H12Cl2N4/c1-15(2)9(12)14-13-8-6(10)4-3-5-7(8)11/h3-5,13H,1-2H3,(H2,12,14)
InChIKey
UYTBGBKACKDOSA-UHFFFAOYSA-N
Compound name
2-(2,6-dichloroanilino)-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0439 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05118 156.4
[M+Na]+ 269.03312 164.1
[M-H]- 245.03662 161.8
[M+NH4]+ 264.07772 175.1
[M+K]+ 285.00706 160.3
[M+H-H2O]+ 229.04116 151.0
[M+HCOO]- 291.04210 175.8
[M+CH3COO]- 305.05775 205.6
[M+Na-2H]- 267.01857 159.8
[M]+ 246.04335 157.9
[M]- 246.04445 157.9
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

No patent data available for this compound.