CID 39440

1-(4-chlorobenzyl)guanidine

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1=CC(=CC=C1CN=C(N)N)Cl
InChI
InChI=1S/C8H10ClN3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKey
CYYQVFZVCJFKES-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

183.05632 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 137.4
[M+Na]+ 206.04554 148.5
[M+NH4]+ 201.09014 146.1
[M+K]+ 222.01948 142.0
[M-H]- 182.04904 141.2
[M+Na-2H]- 204.03099 144.4
[M]+ 183.05577 140.1
[M]- 183.05687 140.1
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