CID 73696

Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-

Structural Information

Molecular Formula
C12H8N4
SMILES
C1CC(=C(C#N)C#N)CCC1=C(C#N)C#N
InChI
InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2
InChIKey
NXQNMVFWIRBUHX-UHFFFAOYSA-N
Compound name
2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

77
Patents

208.07489 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08217 165.1
[M+Na]+ 231.06411 169.9
[M-H]- 207.06761 169.0
[M+NH4]+ 226.10871 169.0
[M+K]+ 247.03805 167.1
[M+H-H2O]+ 191.07215 157.0
[M+HCOO]- 253.07309 166.0
[M+CH3COO]- 267.08874 246.4
[M+Na-2H]- 229.04956 162.0
[M]+ 208.07434 158.9
[M]- 208.07544 158.9
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