CID 55206724

3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile

Structural Information

Molecular Formula
C14H11NO
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C#N
InChI
InChI=1S/C14H11NO/c1-16-14-7-6-12-9-11(3-2-8-15)4-5-13(12)10-14/h2-7,9-10H,1H3/b3-2+
InChIKey
WIOGEUIWDDQIMH-NSCUHMNNSA-N
Compound name
(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.08406 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 149.1
[M+Na]+ 232.07328 163.3
[M+NH4]+ 227.11788 155.0
[M+K]+ 248.04722 151.6
[M-H]- 208.07678 145.1
[M+Na-2H]- 230.05873 153.9
[M]+ 209.08351 149.3
[M]- 209.08461 149.3
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

patents stripe