CID 78969488

1248377-65-2

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1(CC2=CC=CC=C2C1)C(=O)O
InChI
InChI=1S/C11H12O3/c1-14-11(10(12)13)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
DNEDHELWOWRTGH-UHFFFAOYSA-N
Compound name
2-methoxy-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 140.5
[M+Na]+ 215.067858 148.7
[M-H]- 191.071364 144.0
[M+NH4]+ 210.112463 164.1
[M+K]+ 231.041798 146.5
[M+H-H2O]+ 175.075900 136.0
[M+HCOO]- 237.076841 161.9
[M+CH3COO]- 251.092491 179.2
[M+Na-2H]- 213.053306 146.2
[M]+ 192.07809142 141.0
[M]- 192.07918858 141.0
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.