CID 278206

65969-71-3

Structural Information

Molecular Formula
C12H16O3
SMILES
CCOC(=O)C12CCCC1=CC(=O)CC2
InChI
InChI=1S/C12H16O3/c1-2-15-11(14)12-6-3-4-9(12)8-10(13)5-7-12/h8H,2-7H2,1H3
InChIKey
BNROREXUPUDIJE-UHFFFAOYSA-N
Compound name
ethyl 6-oxo-2,3,4,5-tetrahydro-1H-indene-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 146.8
[M+Na]+ 231.099158 153.3
[M-H]- 207.102664 150.7
[M+NH4]+ 226.143763 170.3
[M+K]+ 247.073098 151.5
[M+H-H2O]+ 191.107200 142.0
[M+HCOO]- 253.108141 166.7
[M+CH3COO]- 267.123791 184.0
[M+Na-2H]- 229.084606 150.5
[M]+ 208.10939142 145.8
[M]- 208.11048858 145.8
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.