CID 125776

Canavalmine

Structural Information

Molecular Formula
C11H28N4
SMILES
C(CCNCCCNCCCCN)CN
InChI
InChI=1S/C11H28N4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h14-15H,1-13H2
InChIKey
RZOHQCYUTFAJLA-UHFFFAOYSA-N
Compound name
N'-[3-(4-aminobutylamino)propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

313
Patents

216.2314 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.23868 153.0
[M+Na]+ 239.22062 154.6
[M-H]- 215.22412 151.0
[M+NH4]+ 234.26522 169.7
[M+K]+ 255.19456 152.4
[M+H-H2O]+ 199.22866 145.5
[M+HCOO]- 261.22960 177.8
[M+CH3COO]- 275.24525 201.1
[M+Na-2H]- 237.20607 156.4
[M]+ 216.23085 150.8
[M]- 216.23195 150.8
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.