CID 28491040

6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C14H12N2O2
SMILES
COC1=CC=C(C=C1)COC2=NC=C(C=C2)C#N
InChI
InChI=1S/C14H12N2O2/c1-17-13-5-2-11(3-6-13)10-18-14-7-4-12(8-15)9-16-14/h2-7,9H,10H2,1H3
InChIKey
GCLXYAPFCZSSPF-UHFFFAOYSA-N
Compound name
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 153.1
[M+Na]+ 263.079088 163.5
[M-H]- 239.082594 157.1
[M+NH4]+ 258.123693 167.4
[M+K]+ 279.053028 158.8
[M+H-H2O]+ 223.087130 138.2
[M+HCOO]- 285.088071 172.7
[M+CH3COO]- 299.103721 203.2
[M+Na-2H]- 261.064536 159.0
[M]+ 240.08932142 150.5
[M]- 240.09041858 150.5
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