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]+ 198.07926 143.5
[M+Na]+ 220.06120 151.2
[M-H]- 196.06470 148.4
[M+NH4]+ 215.10580 163.5
[M+K]+ 236.03514 148.1
[M+H-H2O]+ 180.06924 138.0
[M+HCOO]- 242.07018 165.6
[M+CH3COO]- 256.08583 195.0
[M+Na-2H]- 218.04665 147.3
[M]+ 197.07143 142.9
[M]- 197.07253 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.