CID 368

Sym-homospermidine

Structural Information

Molecular Formula
C8H21N3
SMILES
C(CCNCCCCN)CN
InChI
InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2
InChIKey
UODZHRGDSPLRMD-UHFFFAOYSA-N
Compound name
N'-(4-aminobutyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

164
References

2878
Patents

159.17355 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.180826 138.5
[M+Na]+ 182.162768 142.2
[M-H]- 158.166274 137.1
[M+NH4]+ 177.207373 157.9
[M+K]+ 198.136708 140.7
[M+H-H2O]+ 142.170810 132.2
[M+HCOO]- 204.171751 163.3
[M+CH3COO]- 218.187401 186.7
[M+Na-2H]- 180.148216 143.0
[M]+ 159.17300142 136.0
[M]- 159.17409858 136.0
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