CID 211183

Tcnp sodium salt

Structural Information

Molecular Formula

C₇H₂N₄

SMILES

C(=C(C#N)C#N)C(C#N)C#N

InChI

InChI=1S/C7H2N4/c8-2-6(3-9)1-7(4-10)5-11/h1,6H

InChIKey

KPQNHJKRZKOLGW-UHFFFAOYSA-N

Compound name

prop-1-ene-1,1,3,3-tetracarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 142.02794 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.03522	160.2
[M+Na]+	165.01716	164.8
[M-H]-	141.02066	164.0
[M+NH4]+	160.06176	164.5
[M+K]+	180.99110	163.7
[M+H-H2O]+	125.02520	152.2
[M+HCOO]-	187.02614	161.8
[M+CH3COO]-	201.04179	244.6
[M+Na-2H]-	163.00261	157.8
[M]+	142.02739	154.9
[M]-	142.02849	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe