CID 97967

4-ethoxy-4-phenylbutanenitrile

Structural Information

Molecular Formula
C12H15NO
SMILES
CCOC(CCC#N)C1=CC=CC=C1
InChI
InChI=1S/C12H15NO/c1-2-14-12(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9H2,1H3
InChIKey
IUTOHCPJTMZSKI-UHFFFAOYSA-N
Compound name
4-ethoxy-4-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 144.5
[M+Na]+ 212.10459 156.2
[M+NH4]+ 207.14919 149.5
[M+K]+ 228.07853 146.1
[M-H]- 188.10809 139.4
[M+Na-2H]- 210.09004 148.7
[M]+ 189.11482 143.9
[M]- 189.11592 143.9
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.