CID 41298

1-(2,3-dihydro-1h-inden-5-yl)-2-(hexahydro-1h-azepin-1-yl)ethanone maleate

Structural Information

Molecular Formula
C17H23NO
SMILES
C1CCCN(CC1)CC(=O)C2=CC3=C(CCC3)C=C2
InChI
InChI=1S/C17H23NO/c19-17(13-18-10-3-1-2-4-11-18)16-9-8-14-6-5-7-15(14)12-16/h8-9,12H,1-7,10-11,13H2
InChIKey
XYRUKHQCQOYNFR-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 162.8
[M+Na]+ 280.16720 171.6
[M+NH4]+ 275.21180 170.9
[M+K]+ 296.14114 167.3
[M-H]- 256.17070 165.9
[M+Na-2H]- 278.15265 167.6
[M]+ 257.17743 164.8
[M]- 257.17853 164.8
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.