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
4
Annotation Hits

164
References

2754
Patents

159.17355 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.18083 137.7
[M+Na]+ 182.16277 144.3
[M+NH4]+ 177.20737 144.8
[M+K]+ 198.13671 138.7
[M-H]- 158.16627 138.6
[M+Na-2H]- 180.14822 140.5
[M]+ 159.17300 138.4
[M]- 159.17410 138.4
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