CID 314173

27825-74-7

Structural Information

Molecular Formula

C₁₄H₁₈N₈

SMILES

C(CN(CC#N)CC#N)N(CCN(CC#N)CC#N)CC#N

InChI

InChI=1S/C14H18N8/c15-1-6-20(7-2-16)11-13-22(10-5-19)14-12-21(8-3-17)9-4-18/h6-14H2

InChIKey

PLIYQKRDYBEHIZ-UHFFFAOYSA-N

Compound name

2-[bis[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 298.16544 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.17272	195.8
[M+Na]+	321.15466	196.2
[M+NH4]+	316.19926	194.8
[M+K]+	337.12860	193.1
[M-H]-	297.15816	193.4
[M+Na-2H]-	319.14011	193.2
[M]+	298.16489	194.9
[M]-	298.16599	194.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe