CID 106299

4,7,10,13-tetraazahexadecanedinitrile

Structural Information

Molecular Formula
C12H24N6
SMILES
C(CNCCNCCNCCNCCC#N)C#N
InChI
InChI=1S/C12H24N6/c13-3-1-5-15-7-9-17-11-12-18-10-8-16-6-2-4-14/h15-18H,1-2,5-12H2
InChIKey
LZRSZAAWHRMGRR-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-(2-cyanoethylamino)ethylamino]ethylamino]ethylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

252.20624 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.213516 160.1
[M+Na]+ 275.195458 164.2
[M-H]- 251.198964 160.8
[M+NH4]+ 270.240063 170.1
[M+K]+ 291.169398 164.0
[M+H-H2O]+ 235.203500 144.0
[M+HCOO]- 297.204441 174.0
[M+CH3COO]- 311.220091 231.3
[M+Na-2H]- 273.180906 162.4
[M]+ 252.20569142 152.1
[M]- 252.20678858 152.1
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