CID 26514

1-(2-(n-propylcyclohexylamino)ethyl)guanidine sulfate hydrate

Structural Information

Molecular Formula
C12H26N4
SMILES
CCCN(CCN=C(N)N)C1CCCCC1
InChI
InChI=1S/C12H26N4/c1-2-9-16(10-8-15-12(13)14)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H4,13,14,15)
InChIKey
HGUSTOPFDKEPHV-UHFFFAOYSA-N
Compound name
2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.21574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.22302 156.4
[M+Na]+ 249.20496 156.7
[M-H]- 225.20846 159.9
[M+NH4]+ 244.24956 173.5
[M+K]+ 265.17890 156.3
[M+H-H2O]+ 209.21300 148.2
[M+HCOO]- 271.21394 179.5
[M+CH3COO]- 285.22959 205.6
[M+Na-2H]- 247.19041 157.6
[M]+ 226.21519 149.7
[M]- 226.21629 149.7
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.