CID 199690

2-(piperidino)methyl-1-indanone

Structural Information

Molecular Formula
C15H19NO
SMILES
C1CCN(CC1)CC2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H19NO/c17-15-13(11-16-8-4-1-5-9-16)10-12-6-2-3-7-14(12)15/h2-3,6-7,13H,1,4-5,8-11H2
InChIKey
SQIWVUIDKFUELN-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

229.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 153.6
[M+Na]+ 252.135888 159.1
[M-H]- 228.139394 158.8
[M+NH4]+ 247.180493 172.8
[M+K]+ 268.109828 154.9
[M+H-H2O]+ 212.143930 145.8
[M+HCOO]- 274.144871 171.6
[M+CH3COO]- 288.160521 165.0
[M+Na-2H]- 250.121336 155.9
[M]+ 229.14612142 148.7
[M]- 229.14721858 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe