CID 49825

Vufb-10594

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)C(=O)CN4CCOCC4
InChI
InChI=1S/C18H23NO2/c20-17(12-19-7-9-21-10-8-19)18-15-5-1-3-13(15)11-14-4-2-6-16(14)18/h11H,1-10,12H2
InChIKey
RCZPHHJZEJTTJF-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.5
[M+Na]+ 308.16210 172.5
[M-H]- 284.16560 174.8
[M+NH4]+ 303.20670 186.4
[M+K]+ 324.13604 169.3
[M+H-H2O]+ 268.17014 161.3
[M+HCOO]- 330.17108 182.7
[M+CH3COO]- 344.18673 178.5
[M+Na-2H]- 306.14755 167.3
[M]+ 285.17233 164.2
[M]- 285.17343 164.2
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.