CID 79830

Cyanoethyldiethylenetriamine

Structural Information

Molecular Formula
C7H16N4
SMILES
C(CNCCNCCN)C#N
InChI
InChI=1S/C7H16N4/c8-2-1-4-10-6-7-11-5-3-9/h10-11H,1,3-7,9H2
InChIKey
ORTUYCUWCKNIND-UHFFFAOYSA-N
Compound name
3-[2-(2-aminoethylamino)ethylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

289
Patents

156.1375 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.14478 133.5
[M+Na]+ 179.12672 139.3
[M-H]- 155.13022 133.2
[M+NH4]+ 174.17132 151.1
[M+K]+ 195.10066 138.9
[M+H-H2O]+ 139.13476 120.9
[M+HCOO]- 201.13570 155.4
[M+CH3COO]- 215.15135 197.5
[M+Na-2H]- 177.11217 139.4
[M]+ 156.13695 126.9
[M]- 156.13805 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe