CID 63629312

4-(3,3-diethoxypropoxy)benzonitrile

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCOC(CCOC1=CC=C(C=C1)C#N)OCC
InChI
InChI=1S/C14H19NO3/c1-3-16-14(17-4-2)9-10-18-13-7-5-12(11-15)6-8-13/h5-8,14H,3-4,9-10H2,1-2H3
InChIKey
RENMOLLSQTXVQZ-UHFFFAOYSA-N
Compound name
4-(3,3-diethoxypropoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 156.6
[M+Na]+ 272.12571 167.4
[M+NH4]+ 267.17031 160.3
[M+K]+ 288.09965 158.0
[M-H]- 248.12921 150.6
[M+Na-2H]- 270.11116 159.3
[M]+ 249.13594 155.5
[M]- 249.13704 155.5
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

No patent data available for this compound.