CID 3732126

N,n-dimethyl-n-(3-chlorophenyl)guanidine

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 143.7
[M+Na]+ 220.06120 151.1
[M-H]- 196.06470 149.7
[M+NH4]+ 215.10580 164.3
[M+K]+ 236.03514 148.8
[M+H-H2O]+ 180.06924 137.7
[M+HCOO]- 242.07018 167.4
[M+CH3COO]- 256.08583 195.0
[M+Na-2H]- 218.04665 148.8
[M]+ 197.07143 144.5
[M]- 197.07253 144.5
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

patents stripe