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 160.1
[M+Na]+ 275.19546 164.2
[M-H]- 251.19896 160.8
[M+NH4]+ 270.24006 170.1
[M+K]+ 291.16940 164.0
[M+H-H2O]+ 235.20350 144.0
[M+HCOO]- 297.20444 174.0
[M+CH3COO]- 311.22009 231.3
[M+Na-2H]- 273.18091 162.4
[M]+ 252.20569 152.1
[M]- 252.20679 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