CID 39447

(p-chlorophenethyl)aminoguanidine

Structural Information

Molecular Formula
C9H13ClN4
SMILES
C1=CC(=CC=C1CCNN=C(N)N)Cl
InChI
InChI=1S/C9H13ClN4/c10-8-3-1-7(2-4-8)5-6-13-14-9(11)12/h1-4,13H,5-6H2,(H4,11,12,14)
InChIKey
GNAOZKIKJRLWIQ-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)ethylamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.08287 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09015 145.9
[M+Na]+ 235.07209 155.5
[M+NH4]+ 230.11669 153.8
[M+K]+ 251.04603 149.2
[M-H]- 211.07559 149.9
[M+Na-2H]- 233.05754 152.2
[M]+ 212.08232 148.3
[M]- 212.08342 148.3
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.