CID 14843829

Methyl 7-methoxy-3-oxo-2,3-dihydro-1h-indene-1-carboxylate

Structural Information

Molecular Formula
C12H12O4
SMILES
COC1=CC=CC2=C1C(CC2=O)C(=O)OC
InChI
InChI=1S/C12H12O4/c1-15-10-5-3-4-7-9(13)6-8(11(7)10)12(14)16-2/h3-5,8H,6H2,1-2H3
InChIKey
CUMSZOUTQINMKS-UHFFFAOYSA-N
Compound name
methyl 7-methoxy-3-oxo-1,2-dihydroindene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 144.7
[M+Na]+ 243.06278 154.1
[M-H]- 219.06628 149.9
[M+NH4]+ 238.10738 166.5
[M+K]+ 259.03672 152.5
[M+H-H2O]+ 203.07082 139.7
[M+HCOO]- 265.07176 167.8
[M+CH3COO]- 279.08741 188.2
[M+Na-2H]- 241.04823 148.1
[M]+ 220.07301 148.7
[M]- 220.07411 148.7
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

patents stripe