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]+ 169.072006 149.9
[M+Na]+ 191.053948 157.2
[M-H]- 167.057454 152.3
[M+NH4]+ 186.098553 162.7
[M+K]+ 207.027888 155.1
[M+H-H2O]+ 151.061990 137.8
[M+HCOO]- 213.062931 164.3
[M+CH3COO]- 227.078581 213.0
[M+Na-2H]- 189.039396 153.1
[M]+ 168.06418142 142.0
[M]- 168.06527858 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.