CID 49823

Vufb-10593

Structural Information

Molecular Formula
C19H25NO
SMILES
C1CCN(CC1)CC(=O)C2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C19H25NO/c21-18(13-20-10-2-1-3-11-20)19-16-8-4-6-14(16)12-15-7-5-9-17(15)19/h12H,1-11,13H2
InChIKey
BEIWYIXOCJHLNS-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 171.1
[M+Na]+ 306.18282 174.6
[M-H]- 282.18632 176.6
[M+NH4]+ 301.22742 190.4
[M+K]+ 322.15676 169.6
[M+H-H2O]+ 266.19086 163.3
[M+HCOO]- 328.19180 185.6
[M+CH3COO]- 342.20745 180.6
[M+Na-2H]- 304.16827 168.6
[M]+ 283.19305 165.0
[M]- 283.19415 165.0
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.