CID 209068

5,6-dimethoxy-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=C(C=C2C(CCC2=C1)C(=O)O)OC
InChI
InChI=1S/C12H14O4/c1-15-10-5-7-3-4-8(12(13)14)9(7)6-11(10)16-2/h5-6,8H,3-4H2,1-2H3,(H,13,14)
InChIKey
SRMCSVPXTIJOBW-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.5
[M+Na]+ 245.078418 155.0
[M-H]- 221.081924 150.2
[M+NH4]+ 240.123023 167.4
[M+K]+ 261.052358 153.1
[M+H-H2O]+ 205.086460 141.6
[M+HCOO]- 267.087401 167.8
[M+CH3COO]- 281.103051 187.2
[M+Na-2H]- 243.063866 149.4
[M]+ 222.08865142 149.4
[M]- 222.08974858 149.4
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