CID 112929

3,7,10,14-tetraazahexadecane-1,16-diamine

Structural Information

Molecular Formula
C12H32N6
SMILES
C(CNCCN)CNCCNCCCNCCN
InChI
InChI=1S/C12H32N6/c13-3-9-15-5-1-7-17-11-12-18-8-2-6-16-10-4-14/h15-18H,1-14H2
InChIKey
WPLKYFBHXZWXHS-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-N'-[2-[3-(2-aminoethylamino)propylamino]ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

260.26886 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.27614 157.8
[M+Na]+ 283.25808 157.4
[M-H]- 259.26158 155.6
[M+NH4]+ 278.30268 171.9
[M+K]+ 299.23202 155.5
[M+H-H2O]+ 243.26612 149.0
[M+HCOO]- 305.26706 184.2
[M+CH3COO]- 319.28271 214.9
[M+Na-2H]- 281.24353 161.8
[M]+ 260.26831 154.5
[M]- 260.26941 154.5
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