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]+ 288.19582 170.4
[M+Na]+ 310.17776 175.3
[M-H]- 286.18126 176.0
[M+NH4]+ 305.22236 187.8
[M+K]+ 326.15170 172.6
[M+H-H2O]+ 270.18580 162.6
[M+HCOO]- 332.18674 185.5
[M+CH3COO]- 346.20239 201.4
[M+Na-2H]- 308.16321 171.6
[M]+ 287.18799 168.2
[M]- 287.18909 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.