CID 53724337

Methyl 5-methoxy-2,3-dihydro-1h-indene-2-carboxylate

Structural Information

Molecular Formula
C12H14O3
SMILES
COC1=CC2=C(CC(C2)C(=O)OC)C=C1
InChI
InChI=1S/C12H14O3/c1-14-11-4-3-8-5-10(12(13)15-2)6-9(8)7-11/h3-4,7,10H,5-6H2,1-2H3
InChIKey
CJKBZZXRBXKIOK-UHFFFAOYSA-N
Compound name
methyl 5-methoxy-2,3-dihydro-1H-indene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

206.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 144.1
[M+Na]+ 229.08352 152.3
[M-H]- 205.08702 148.8
[M+NH4]+ 224.12812 166.2
[M+K]+ 245.05746 150.7
[M+H-H2O]+ 189.09156 138.8
[M+HCOO]- 251.09250 166.7
[M+CH3COO]- 265.10815 185.8
[M+Na-2H]- 227.06897 147.9
[M]+ 206.09375 146.8
[M]- 206.09485 146.8
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.