CID 3022053

2-(2-piperidinoethyl)-1-indanone

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]+ 244.16959 158.2
[M+Na]+ 266.15153 163.3
[M-H]- 242.15503 163.2
[M+NH4]+ 261.19613 176.8
[M+K]+ 282.12547 158.8
[M+H-H2O]+ 226.15957 150.2
[M+HCOO]- 288.16051 175.8
[M+CH3COO]- 302.17616 169.1
[M+Na-2H]- 264.13698 159.9
[M]+ 243.16176 153.7
[M]- 243.16286 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.