CID 110028

15-amino-4,7,10,13-tetraazapentadecanenitrile

Structural Information

Molecular Formula
C11H26N6
SMILES
C(CNCCNCCNCCNCCN)C#N
InChI
InChI=1S/C11H26N6/c12-2-1-4-14-6-8-16-10-11-17-9-7-15-5-3-13/h14-17H,1,3-11,13H2
InChIKey
MRXUUSCOXDLUQQ-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.2219 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.22918 151.9
[M+Na]+ 265.21112 154.4
[M-H]- 241.21462 150.7
[M+NH4]+ 260.25572 165.6
[M+K]+ 281.18506 153.9
[M+H-H2O]+ 225.21916 137.7
[M+HCOO]- 287.22010 174.2
[M+CH3COO]- 301.23575 217.8
[M+Na-2H]- 263.19657 156.6
[M]+ 242.22135 145.1
[M]- 242.22245 145.1
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