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 148.7
[M+Na]+ 232.07328 160.2
[M-H]- 208.07678 152.7
[M+NH4]+ 227.11788 167.0
[M+K]+ 248.04722 153.8
[M+H-H2O]+ 192.08132 136.2
[M+HCOO]- 254.08226 168.4
[M+CH3COO]- 268.09791 199.3
[M+Na-2H]- 230.05873 155.2
[M]+ 209.08351 145.2
[M]- 209.08461 145.2
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