CID 3022053

1-indanone, 2-(2-piperidinoethyl)-

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CCN(CC1)CCC2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H21NO/c18-16-14(8-11-17-9-4-1-5-10-17)12-13-6-2-3-7-15(13)16/h2-3,6-7,14H,1,4-5,8-12H2
InChIKey
XDDUOKKIMHFBAT-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethyl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 158.2
[M+Na]+ 266.151528 163.3
[M-H]- 242.155034 163.2
[M+NH4]+ 261.196133 176.8
[M+K]+ 282.125468 158.8
[M+H-H2O]+ 226.159570 150.2
[M+HCOO]- 288.160511 175.8
[M+CH3COO]- 302.176161 169.1
[M+Na-2H]- 264.136976 159.9
[M]+ 243.16176142 153.7
[M]- 243.16285858 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.