CID 916

N1-acetylspermine

Structural Information

Molecular Formula
C12H28N4O
SMILES
CC(=O)NCCCNCCCCNCCCN
InChI
InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKey
GUNURVWAJRRUAV-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

52
References

621
Patents

244.22632 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.23360 161.1
[M+Na]+ 267.21554 162.3
[M-H]- 243.21904 159.5
[M+NH4]+ 262.26014 176.8
[M+K]+ 283.18948 160.6
[M+H-H2O]+ 227.22358 153.2
[M+HCOO]- 289.22452 185.6
[M+CH3COO]- 303.24017 206.1
[M+Na-2H]- 265.20099 163.6
[M]+ 244.22577 160.2
[M]- 244.22687 160.2
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