CID 114309

4,7,11-triazatetradecane-1,14-diamine

Structural Information

Molecular Formula
C11H29N5
SMILES
C(CN)CNCCCNCCNCCCN
InChI
InChI=1S/C11H29N5/c12-4-1-6-14-8-3-9-16-11-10-15-7-2-5-13/h14-16H,1-13H2
InChIKey
BTJCQNIQJYIKBU-UHFFFAOYSA-N
Compound name
N'-[3-[2-(3-aminopropylamino)ethylamino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

231.2423 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.24958 153.7
[M+Na]+ 254.23152 154.5
[M-H]- 230.23502 151.7
[M+NH4]+ 249.27612 169.4
[M+K]+ 270.20546 152.5
[M+H-H2O]+ 214.23956 145.6
[M+HCOO]- 276.24050 179.5
[M+CH3COO]- 290.25615 206.4
[M+Na-2H]- 252.21697 157.6
[M]+ 231.24175 150.8
[M]- 231.24285 150.8
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

patents stripe