CID 86775773

5-(2-aminoethoxy)-2,3-dihydro-1h-inden-1-onehydrochloride

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]+ 192.10192 139.6
[M+Na]+ 214.08386 147.7
[M-H]- 190.08736 143.8
[M+NH4]+ 209.12846 161.8
[M+K]+ 230.05780 144.9
[M+H-H2O]+ 174.09190 134.0
[M+HCOO]- 236.09284 163.8
[M+CH3COO]- 250.10849 184.7
[M+Na-2H]- 212.06931 144.6
[M]+ 191.09409 139.6
[M]- 191.09519 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.