CID 314173

Acetonitrile, 2,2',2'',2'''-[[(cyanomethyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17272 147.4
[M+Na]+ 321.15466 149.2
[M-H]- 297.15816 150.1
[M+NH4]+ 316.19926 148.8
[M+K]+ 337.12860 148.9
[M+H-H2O]+ 281.16270 143.2
[M+HCOO]- 343.16364 147.6
[M+CH3COO]- 357.17929 253.9
[M+Na-2H]- 319.14011 145.2
[M]+ 298.16489 145.0
[M]- 298.16599 145.0
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