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]+ 241.09715 153.1
[M+Na]+ 263.07909 163.5
[M-H]- 239.08259 157.1
[M+NH4]+ 258.12369 167.4
[M+K]+ 279.05303 158.8
[M+H-H2O]+ 223.08713 138.2
[M+HCOO]- 285.08807 172.7
[M+CH3COO]- 299.10372 203.2
[M+Na-2H]- 261.06454 159.0
[M]+ 240.08932 150.5
[M]- 240.09042 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