CID 3064389

102071-95-4

Structural Information

Molecular Formula
C18H25NO2
SMILES
CC1(CC2=C(O1)C(=CC=C2)C(=O)CCN3CCCCC3)C
InChI
InChI=1S/C18H25NO2/c1-18(2)13-14-7-6-8-15(17(14)21-18)16(20)9-12-19-10-4-3-5-11-19/h6-8H,3-5,9-13H2,1-2H3
InChIKey
VRVQVHUHSZVGDX-UHFFFAOYSA-N
Compound name
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 170.4
[M+Na]+ 310.177758 175.3
[M-H]- 286.181264 176.0
[M+NH4]+ 305.222363 187.8
[M+K]+ 326.151698 172.6
[M+H-H2O]+ 270.185800 162.6
[M+HCOO]- 332.186741 185.5
[M+CH3COO]- 346.202391 201.4
[M+Na-2H]- 308.163206 171.6
[M]+ 287.18799142 168.2
[M]- 287.18908858 168.2
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.