CID 266887

4462-99-1

Structural Information

Molecular Formula
C14H12N4
SMILES
CC1(C(=C(C#N)C#N)C(C1=C(C#N)C#N)(C)C)C
InChI
InChI=1S/C14H12N4/c1-13(2)11(9(5-15)6-16)14(3,4)12(13)10(7-17)8-18/h1-4H3
InChIKey
PEGOQLUAOMEHPV-UHFFFAOYSA-N
Compound name
2-[3-(dicyanomethylidene)-2,2,4,4-tetramethylcyclobutylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.1062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11348 162.8
[M+Na]+ 259.09542 167.5
[M-H]- 235.09892 167.3
[M+NH4]+ 254.14002 166.3
[M+K]+ 275.06936 166.7
[M+H-H2O]+ 219.10346 154.8
[M+HCOO]- 281.10440 164.0
[M+CH3COO]- 295.12005 248.3
[M+Na-2H]- 257.08087 160.0
[M]+ 236.10565 159.3
[M]- 236.10675 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.