CID 5046243

221242-71-3

Structural Information

Molecular Formula
C15H10N2O
SMILES
COC(=C(C#N)C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H10N2O/c1-18-15(12(9-16)10-17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,1H3
InChIKey
XQWRQOZYYLGZMS-UHFFFAOYSA-N
Compound name
2-[methoxy(naphthalen-1-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08660 180.5
[M+Na]+ 257.06854 189.7
[M+NH4]+ 252.11314 181.4
[M+K]+ 273.04248 178.1
[M-H]- 233.07204 171.0
[M+Na-2H]- 255.05399 179.6
[M]+ 234.07877 177.9
[M]- 234.07987 177.9
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.