CID 3732126

2-(3-chlorophenyl)-1,1-dimethylguanidine

Structural Information

Molecular Formula
C9H12ClN3
SMILES
CN(C)C(=NC1=CC(=CC=C1)Cl)N
InChI
InChI=1S/C9H12ClN3/c1-13(2)9(11)12-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H2,11,12)
InChIKey
HNIDNQGBEAELQX-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 142.4
[M+Na]+ 220.06120 153.8
[M+NH4]+ 215.10580 151.3
[M+K]+ 236.03514 147.3
[M-H]- 196.06470 146.7
[M+Na-2H]- 218.04665 149.8
[M]+ 197.07143 145.3
[M]- 197.07253 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.