CID 3063957

Nu-896

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCC(=O)OC1(CCN(CC1)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-4-16(19)20-17(15-8-6-5-7-9-15)10-12-18(13-11-17)14(2)3/h5-9,14H,4,10-13H2,1-3H3
InChIKey
XTNONWATXPYQQR-UHFFFAOYSA-N
Compound name
(4-phenyl-1-propan-2-ylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.7
[M+Na]+ 298.17776 171.5
[M-H]- 274.18126 171.8
[M+NH4]+ 293.22236 184.0
[M+K]+ 314.15170 169.3
[M+H-H2O]+ 258.18580 159.7
[M+HCOO]- 320.18674 184.1
[M+CH3COO]- 334.20239 199.6
[M+Na-2H]- 296.16321 169.2
[M]+ 275.18799 165.6
[M]- 275.18909 165.6
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