CID 86775773

2839144-25-9

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(=O)C2=C1C=C(C=C2)OCCN
InChI
InChI=1S/C11H13NO2/c12-5-6-14-9-2-3-10-8(7-9)1-4-11(10)13/h2-3,7H,1,4-6,12H2
InChIKey
RILNXXOREQQLJJ-UHFFFAOYSA-N
Compound name
5-(2-aminoethoxy)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 139.6
[M+Na]+ 214.083858 147.7
[M-H]- 190.087364 143.8
[M+NH4]+ 209.128463 161.8
[M+K]+ 230.057798 144.9
[M+H-H2O]+ 174.091900 134.0
[M+HCOO]- 236.092841 163.8
[M+CH3COO]- 250.108491 184.7
[M+Na-2H]- 212.069306 144.6
[M]+ 191.09409142 139.6
[M]- 191.09518858 139.6
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.