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]+ 210.091336 148.7
[M+Na]+ 232.073278 160.2
[M-H]- 208.076784 152.7
[M+NH4]+ 227.117883 167.0
[M+K]+ 248.047218 153.8
[M+H-H2O]+ 192.081320 136.2
[M+HCOO]- 254.082261 168.4
[M+CH3COO]- 268.097911 199.3
[M+Na-2H]- 230.058726 155.2
[M]+ 209.08351142 145.2
[M]- 209.08460858 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