CID 13356

868-54-2

Structural Information

Molecular Formula
C6H4N4
SMILES
C(C#N)C(=C(C#N)C#N)N
InChI
InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2
InChIKey
BNHGNFYPZNDLAF-UHFFFAOYSA-N
Compound name
2-aminoprop-1-ene-1,1,3-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

370
Patents

132.0436 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05088 160.2
[M+Na]+ 155.03282 166.7
[M-H]- 131.03632 163.4
[M+NH4]+ 150.07742 168.4
[M+K]+ 171.00676 165.9
[M+H-H2O]+ 115.04086 147.6
[M+HCOO]- 177.04180 165.6
[M+CH3COO]- 191.05745 231.1
[M+Na-2H]- 153.01827 158.6
[M]+ 132.04305 151.3
[M]- 132.04415 151.3
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