CID 129852

N(1)-acetylnorspermidine

Structural Information

Molecular Formula
C8H19N3O
SMILES
CC(=O)NCCCNCCCN
InChI
InChI=1S/C8H19N3O/c1-8(12)11-7-3-6-10-5-2-4-9/h10H,2-7,9H2,1H3,(H,11,12)
InChIKey
AWCGLAKRWLZACY-UHFFFAOYSA-N
Compound name
N-[3-(3-aminopropylamino)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

173.15282 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.160096 141.6
[M+Na]+ 196.142038 145.5
[M-H]- 172.145544 140.9
[M+NH4]+ 191.186643 160.7
[M+K]+ 212.115978 144.6
[M+H-H2O]+ 156.150080 135.2
[M+HCOO]- 218.151021 166.5
[M+CH3COO]- 232.166671 188.6
[M+Na-2H]- 194.127486 145.8
[M]+ 173.15227142 140.1
[M]- 173.15336858 140.1
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