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 152.1
[M+Na]+ 245.13728 160.3
[M+NH4]+ 240.18188 158.8
[M+K]+ 261.11122 155.2
[M-H]- 221.14078 155.5
[M+Na-2H]- 243.12273 157.1
[M]+ 222.14751 153.7
[M]- 222.14861 153.7
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.