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]+ 221.080836 144.7
[M+Na]+ 243.062778 154.1
[M-H]- 219.066284 149.9
[M+NH4]+ 238.107383 166.5
[M+K]+ 259.036718 152.5
[M+H-H2O]+ 203.070820 139.7
[M+HCOO]- 265.071761 167.8
[M+CH3COO]- 279.087411 188.2
[M+Na-2H]- 241.048226 148.1
[M]+ 220.07301142 148.7
[M]- 220.07410858 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