CID 39449

(2-(p-chlorophenoxy)ethyl)guanidine

Structural Information

Molecular Formula
C9H12ClN3O
SMILES
C1=CC(=CC=C1OCCN=C(N)N)Cl
InChI
InChI=1S/C9H12ClN3O/c10-7-1-3-8(4-2-7)14-6-5-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
InChIKey
DCJWVDMQVPGGEX-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0669 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.074176 145.8
[M+Na]+ 236.056118 152.9
[M-H]- 212.059624 149.8
[M+NH4]+ 231.100723 164.7
[M+K]+ 252.030058 149.4
[M+H-H2O]+ 196.064160 139.8
[M+HCOO]- 258.065101 168.6
[M+CH3COO]- 272.080751 193.7
[M+Na-2H]- 234.041566 150.7
[M]+ 213.06635142 145.8
[M]- 213.06744858 145.8
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.