CID 5046243

2-[methoxy(naphthalen-1-yl)methylidene]propanedinitrile

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 169.6
[M+Na]+ 257.06854 179.7
[M-H]- 233.07204 172.8
[M+NH4]+ 252.11314 181.7
[M+K]+ 273.04248 172.7
[M+H-H2O]+ 217.07658 154.2
[M+HCOO]- 279.07752 180.3
[M+CH3COO]- 293.09317 221.4
[M+Na-2H]- 255.05399 170.8
[M]+ 234.07877 161.4
[M]- 234.07987 161.4
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

patents stripe