CID 165947417

6-(methoxycarbonyl)-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C12H12O4
SMILES
COC(=O)C1=CC2=C(CCC2C(=O)O)C=C1
InChI
InChI=1S/C12H12O4/c1-16-12(15)8-3-2-7-4-5-9(11(13)14)10(7)6-8/h2-3,6,9H,4-5H2,1H3,(H,13,14)
InChIKey
HELYFTJOQSFNGU-UHFFFAOYSA-N
Compound name
6-methoxycarbonyl-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 146.3
[M+Na]+ 243.06278 154.0
[M-H]- 219.06628 149.7
[M+NH4]+ 238.10738 166.9
[M+K]+ 259.03672 152.0
[M+H-H2O]+ 203.07082 141.3
[M+HCOO]- 265.07176 166.8
[M+CH3COO]- 279.08741 185.4
[M+Na-2H]- 241.04823 148.6
[M]+ 220.07301 147.3
[M]- 220.07411 147.3
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.