CID 3084891

45243-86-5

Structural Information

Molecular Formula
C14H20N6
SMILES
C(CN(CCC#N)CCN(CCC#N)CCC#N)C#N
InChI
InChI=1S/C14H20N6/c15-5-1-9-19(10-2-6-16)13-14-20(11-3-7-17)12-4-8-18/h1-4,9-14H2
InChIKey
MXHIGVLOGPIQHM-UHFFFAOYSA-N
Compound name
3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

272.17496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18224 162.9
[M+Na]+ 295.16418 166.4
[M-H]- 271.16768 166.5
[M+NH4]+ 290.20878 166.3
[M+K]+ 311.13812 165.8
[M+H-H2O]+ 255.17222 154.3
[M+HCOO]- 317.17316 164.7
[M+CH3COO]- 331.18881 250.8
[M+Na-2H]- 293.14963 160.3
[M]+ 272.17441 158.4
[M]- 272.17551 158.4
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