CID 21984

(ethylenedinitrilo)tetraacetonitrile

Structural Information

Molecular Formula
C10H12N6
SMILES
C(CN(CC#N)CC#N)N(CC#N)CC#N
InChI
InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2
InChIKey
FDWRKVKXYZRYOD-UHFFFAOYSA-N
Compound name
2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

173
Patents

216.11235 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11963 205.2
[M+Na]+ 239.10157 206.6
[M+NH4]+ 234.14617 203.4
[M+K]+ 255.07551 200.6
[M-H]- 215.10507 199.5
[M+Na-2H]- 237.08702 200.9
[M]+ 216.11180 203.1
[M]- 216.11290 203.1
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