CID 49609

Brn 2644407

Structural Information

Molecular Formula
C12H26N4
SMILES
CN(CCN=C(N)N)C1CCCCCCC1
InChI
InChI=1S/C12H26N4/c1-16(10-9-15-12(13)14)11-7-5-3-2-4-6-8-11/h11H,2-10H2,1H3,(H4,13,14,15)
InChIKey
DIUFXKCSQITPBA-UHFFFAOYSA-N
Compound name
2-[2-[cyclooctyl(methyl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.21574 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.22302 154.0
[M+Na]+ 249.20496 156.2
[M-H]- 225.20846 156.0
[M+NH4]+ 244.24956 162.0
[M+K]+ 265.17890 157.3
[M+H-H2O]+ 209.21300 149.6
[M+HCOO]- 271.21394 164.3
[M+CH3COO]- 285.22959 231.7
[M+Na-2H]- 247.19041 153.0
[M]+ 226.21519 150.7
[M]- 226.21629 150.7
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.