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]+ 213.090146 146.9
[M+Na]+ 235.072088 153.1
[M-H]- 211.075594 150.7
[M+NH4]+ 230.116693 165.4
[M+K]+ 251.046028 149.2
[M+H-H2O]+ 195.080130 140.5
[M+HCOO]- 257.081071 170.3
[M+CH3COO]- 271.096721 196.9
[M+Na-2H]- 233.057536 151.9
[M]+ 212.08232142 144.7
[M]- 212.08341858 144.7
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.