CID 77820

Propanenitrile, 3,3'-(nitroimino)bis-

Structural Information

Molecular Formula
C6H8N4O2
SMILES
C(CN(CCC#N)[N+](=O)[O-])C#N
InChI
InChI=1S/C6H8N4O2/c7-3-1-5-9(10(11)12)6-2-4-8/h1-2,5-6H2
InChIKey
OPXYCJYYLGORGT-UHFFFAOYSA-N
Compound name
N,N-bis(2-cyanoethyl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06473 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07201 163.9
[M+Na]+ 191.05395 170.8
[M+NH4]+ 186.09855 164.0
[M+K]+ 207.02789 162.9
[M-H]- 167.05745 153.8
[M+Na-2H]- 189.03940 161.6
[M]+ 168.06418 160.6
[M]- 168.06528 160.6
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

No patent data available for this compound.