CID 170912756

Rac-2-[(1r,2r)-2-methyl-2,3-dihydro-1h-inden-1-yl]acetic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C[C@@H]1CC2=CC=CC=C2[C@@H]1CC(=O)O
InChI
InChI=1S/C12H14O2/c1-8-6-9-4-2-3-5-10(9)11(8)7-12(13)14/h2-5,8,11H,6-7H2,1H3,(H,13,14)/t8-,11-/m1/s1
InChIKey
KWMQCKYYCNNMEN-LDYMZIIASA-N
Compound name
2-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 141.4
[M+Na]+ 213.088598 149.3
[M-H]- 189.092104 144.8
[M+NH4]+ 208.133203 163.5
[M+K]+ 229.062538 146.2
[M+H-H2O]+ 173.096640 136.5
[M+HCOO]- 235.097581 162.3
[M+CH3COO]- 249.113231 181.8
[M+Na-2H]- 211.074046 144.7
[M]+ 190.09883142 140.9
[M]- 190.09992858 140.9
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.