CID 6382826

Trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile

Structural Information

Molecular Formula
C17H18N2
SMILES
C/C(=C\C1=CC=C(C=C1)C(C)(C)C)/C=C(C#N)C#N
InChI
InChI=1S/C17H18N2/c1-13(10-15(11-18)12-19)9-14-5-7-16(8-6-14)17(2,3)4/h5-10H,1-4H3/b13-9+
InChIKey
OIASAVWSBWJWBR-UKTHLTGXSA-N
Compound name
2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1063
Patents

250.147 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 182.1
[M+Na]+ 273.13622 190.0
[M+NH4]+ 268.18082 182.2
[M+K]+ 289.11016 179.3
[M-H]- 249.13972 171.8
[M+Na-2H]- 271.12167 180.6
[M]+ 250.14645 179.1
[M]- 250.14755 179.1
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

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