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]+ 207.101576 144.1
[M+Na]+ 229.083518 152.3
[M-H]- 205.087024 148.8
[M+NH4]+ 224.128123 166.2
[M+K]+ 245.057458 150.7
[M+H-H2O]+ 189.091560 138.8
[M+HCOO]- 251.092501 166.7
[M+CH3COO]- 265.108151 185.8
[M+Na-2H]- 227.068966 147.9
[M]+ 206.09375142 146.8
[M]- 206.09484858 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

literature stripe

Patent stripe

patents stripe