CID 110031

11-cyano-3,6,9-triazaundecan-1-amine

Structural Information

Molecular Formula
C9H21N5
SMILES
C(CNCCNCCNCCN)C#N
InChI
InChI=1S/C9H21N5/c10-2-1-4-12-6-8-14-9-7-13-5-3-11/h12-14H,1,3-9,11H2
InChIKey
IHUXKNVDSOLKCH-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

199.1797 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.18698 143.3
[M+Na]+ 222.16892 147.4
[M-H]- 198.17242 142.5
[M+NH4]+ 217.21352 158.9
[M+K]+ 238.14286 146.9
[M+H-H2O]+ 182.17696 129.8
[M+HCOO]- 244.17790 165.3
[M+CH3COO]- 258.19355 207.6
[M+Na-2H]- 220.15437 148.4
[M]+ 199.17915 136.5
[M]- 199.18025 136.5
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