CID 56774

1-amino-3(2-(2,6-xylyloxy)ethyl)guanidine hydriodide

Structural Information

Molecular Formula
C11H18N4O
SMILES
CC1=C(C(=CC=C1)C)OCCN=C(N)NN
InChI
InChI=1S/C11H18N4O/c1-8-4-3-5-9(2)10(8)16-7-6-14-11(12)15-13/h3-5H,6-7,13H2,1-2H3,(H3,12,14,15)
InChIKey
PEGOPGPZMRLQCJ-UHFFFAOYSA-N
Compound name
1-amino-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.14806 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 151.1
[M+Na]+ 245.13728 156.6
[M-H]- 221.14078 155.3
[M+NH4]+ 240.18188 168.7
[M+K]+ 261.11122 154.9
[M+H-H2O]+ 205.14532 143.5
[M+HCOO]- 267.14626 178.7
[M+CH3COO]- 281.16191 201.9
[M+Na-2H]- 243.12273 155.0
[M]+ 222.14751 149.2
[M]- 222.14861 149.2
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.