CID 4283

N(1), n(12)-diethylspermine

Structural Information

Molecular Formula
C14H34N4
SMILES
CCNCCCNCCCCNCCCNCC
InChI
InChI=1S/C14H34N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h15-18H,3-14H2,1-2H3
InChIKey
PGMIWVSHZMWSSI-UHFFFAOYSA-N
Compound name
N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

53
References

394
Patents

258.27835 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.28563 166.2
[M+Na]+ 281.26757 166.5
[M-H]- 257.27107 164.6
[M+NH4]+ 276.31217 181.8
[M+K]+ 297.24151 164.3
[M+H-H2O]+ 241.27561 158.1
[M+HCOO]- 303.27655 191.3
[M+CH3COO]- 317.29220 211.3
[M+Na-2H]- 279.25302 170.2
[M]+ 258.27780 167.2
[M]- 258.27890 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.