CID 62948697

2-chloro-4-(dimethylamino)benzene-1-carboximidamide

Structural Information

Molecular Formula
C9H12ClN3
SMILES
CN(C)C1=CC(=C(C=C1)C(=N)N)Cl
InChI
InChI=1S/C9H12ClN3/c1-13(2)6-3-4-7(9(11)12)8(10)5-6/h3-5H,1-2H3,(H3,11,12)
InChIKey
XAMUIIKNMKOFKH-UHFFFAOYSA-N
Compound name
2-chloro-4-(dimethylamino)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.07198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.079256 143.5
[M+Na]+ 220.061198 151.2
[M-H]- 196.064704 148.4
[M+NH4]+ 215.105803 163.5
[M+K]+ 236.035138 148.1
[M+H-H2O]+ 180.069240 138.0
[M+HCOO]- 242.070181 165.6
[M+CH3COO]- 256.085831 195.0
[M+Na-2H]- 218.046646 147.3
[M]+ 197.07143142 142.9
[M]- 197.07252858 142.9
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.