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

306
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

literature stripe

Patent stripe

patents stripe