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
1
Annotation Hits

0
References

2
Patents

252.20624 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21352 187.9
[M+Na]+ 275.19546 191.6
[M+NH4]+ 270.24006 186.8
[M+K]+ 291.16940 181.0
[M-H]- 251.19896 177.4
[M+Na-2H]- 273.18091 184.0
[M]+ 252.20569 183.8
[M]- 252.20679 183.8
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