CID 3015774

N,n'-dicyanosebacamide

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂

SMILES

C(CCCCC(=O)NC#N)CCCC(=O)NC#N

InChI

InChI=1S/C12H18N4O2/c13-9-15-11(17)7-5-3-1-2-4-6-8-12(18)16-10-14/h1-8H2,(H,15,17)(H,16,18)

InChIKey

OZZMKKRNGGDMPC-UHFFFAOYSA-N

Compound name

N,N'-dicyanodecanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 250.14297 Da
Monoisotopic Mass: 1.7
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]+	251.150246	164.7
[M+Na]+	273.132188	170.4
[M-H]-	249.135694	165.9
[M+NH4]+	268.176793	175.3
[M+K]+	289.106128	169.8
[M+H-H2O]+	233.140230	149.0
[M+HCOO]-	295.141171	176.8
[M+CH3COO]-	309.156821	226.3
[M+Na-2H]-	271.117636	164.8
[M]+	250.14242142	157.6
[M]-	250.14351858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe