CID 3062488

2-((1-methyl-2-piperidyl)methyl)-1-indanone hydroiodide

Structural Information

Molecular Formula
C16H21NO
SMILES
CN1CCCCC1CC2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H21NO/c1-17-9-5-4-7-14(17)11-13-10-12-6-2-3-8-15(12)16(13)18/h2-3,6,8,13-14H,4-5,7,9-11H2,1H3
InChIKey
ZFHIOTQTBPECIV-UHFFFAOYSA-N
Compound name
2-[(1-methylpiperidin-2-yl)methyl]-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 158.2
[M+Na]+ 266.15153 164.2
[M-H]- 242.15503 163.6
[M+NH4]+ 261.19613 177.1
[M+K]+ 282.12547 159.7
[M+H-H2O]+ 226.15957 150.5
[M+HCOO]- 288.16051 175.8
[M+CH3COO]- 302.17616 169.5
[M+Na-2H]- 264.13698 159.2
[M]+ 243.16176 154.0
[M]- 243.16286 154.0
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.