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 149.9
[M+Na]+ 191.05395 157.2
[M-H]- 167.05745 152.3
[M+NH4]+ 186.09855 162.7
[M+K]+ 207.02789 155.1
[M+H-H2O]+ 151.06199 137.8
[M+HCOO]- 213.06293 164.3
[M+CH3COO]- 227.07858 213.0
[M+Na-2H]- 189.03940 153.1
[M]+ 168.06418 142.0
[M]- 168.06528 142.0
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.