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]+ 209.11722 146.8
[M+Na]+ 231.09916 153.3
[M-H]- 207.10266 150.7
[M+NH4]+ 226.14376 170.3
[M+K]+ 247.07310 151.5
[M+H-H2O]+ 191.10720 142.0
[M+HCOO]- 253.10814 166.7
[M+CH3COO]- 267.12379 184.0
[M+Na-2H]- 229.08461 150.5
[M]+ 208.10939 145.8
[M]- 208.11049 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.