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 168.7
[M+Na]+ 292.16720 173.5
[M-H]- 268.17070 175.2
[M+NH4]+ 287.21180 190.5
[M+K]+ 308.14114 169.2
[M+H-H2O]+ 252.17524 162.1
[M+HCOO]- 314.17618 185.9
[M+CH3COO]- 328.19183 179.4
[M+Na-2H]- 290.15265 165.0
[M]+ 269.17743 164.8
[M]- 269.17853 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.