CID 10266536

N4-bis(aminopropyl)spermidine

Structural Information

Molecular Formula
C13H34N5
SMILES
C(CC[N+](CCCN)(CCCN)CCCN)CN
InChI
InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1
InChIKey
FMTAVYOBEGHWPT-UHFFFAOYSA-N
Compound name
4-aminobutyl-tris(3-aminopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

260.28143 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.28871 158.2
[M+Na]+ 283.27065 159.1
[M-H]- 259.27415 156.7
[M+NH4]+ 278.31525 173.1
[M+K]+ 299.24459 151.5
[M+H-H2O]+ 243.27869 153.5
[M+HCOO]- 305.27963 181.7
[M+CH3COO]- 319.29528 206.9
[M+Na-2H]- 281.25610 163.0
[M]+ 260.28088 153.8
[M]- 260.28198 153.8
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