CID 17765

2809-52-1

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCC(CCN1CCOCC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C16H22N2O/c1-2-16(14-17,15-6-4-3-5-7-15)8-9-18-10-12-19-13-11-18/h3-7H,2,8-13H2,1H3
InChIKey
RQNNBMVBEQZRGU-UHFFFAOYSA-N
Compound name
2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 167.1
[M+Na]+ 281.16244 178.3
[M+NH4]+ 276.20704 171.5
[M+K]+ 297.13638 168.1
[M-H]- 257.16594 163.9
[M+Na-2H]- 279.14789 170.8
[M]+ 258.17267 167.0
[M]- 258.17377 167.0
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.