CID 39443

Guanidine, (o-chlorophenethyl)amino-

Structural Information

Molecular Formula
C9H13ClN4
SMILES
C1=CC=C(C(=C1)CCNN=C(N)N)Cl
InChI
InChI=1S/C9H13ClN4/c10-8-4-2-1-3-7(8)5-6-13-14-9(11)12/h1-4,13H,5-6H2,(H4,11,12,14)
InChIKey
WEQLQUQAAWQCSA-UHFFFAOYSA-N
Compound name
2-[2-(2-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 146.9
[M+Na]+ 235.07209 153.1
[M-H]- 211.07559 150.7
[M+NH4]+ 230.11669 165.4
[M+K]+ 251.04603 149.2
[M+H-H2O]+ 195.08013 140.5
[M+HCOO]- 257.08107 170.3
[M+CH3COO]- 271.09672 196.9
[M+Na-2H]- 233.05754 151.9
[M]+ 212.08232 144.7
[M]- 212.08342 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.