CID 10377866

40110-55-2

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCOC(=O)C=C1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3
InChIKey
ZKKOLEGJTTYPDH-UHFFFAOYSA-N
Compound name
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

259.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 163.4
[M+Na]+ 282.14645 175.2
[M+NH4]+ 277.19105 170.9
[M+K]+ 298.12039 167.6
[M-H]- 258.14995 166.4
[M+Na-2H]- 280.13190 169.7
[M]+ 259.15668 165.7
[M]- 259.15778 165.7
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

patents stripe