CID 49821

Vufb-10607

Structural Information

Molecular Formula
C18H23NO
SMILES
C1CCN(C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C18H23NO/c20-17(12-19-9-1-2-10-19)18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h11H,1-10,12H2
InChIKey
SCOQNPQEDLMANT-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.0
[M+Na]+ 292.16720 175.0
[M+NH4]+ 287.21180 175.7
[M+K]+ 308.14114 173.3
[M-H]- 268.17070 169.2
[M+Na-2H]- 290.15265 168.5
[M]+ 269.17743 167.9
[M]- 269.17853 167.9
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.