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 161.3
[M+Na]+ 281.16244 167.1
[M-H]- 257.16594 164.2
[M+NH4]+ 276.20704 173.2
[M+K]+ 297.13638 163.2
[M+H-H2O]+ 241.17048 146.3
[M+HCOO]- 303.17142 174.1
[M+CH3COO]- 317.18707 206.0
[M+Na-2H]- 279.14789 166.3
[M]+ 258.17267 153.7
[M]- 258.17377 153.7
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.