CID 351922

2-(2,3-dihydro-1h-inden-5-yloxy)propanoic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
CC(C(=O)O)OC1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C12H14O3/c1-8(12(13)14)15-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,13,14)
InChIKey
ZJLIHMQROANPCJ-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.101576 145.4
[M+Na]+ 229.083518 151.8
[M-H]- 205.087024 148.3
[M+NH4]+ 224.128123 166.3
[M+K]+ 245.057458 149.8
[M+H-H2O]+ 189.091560 140.1
[M+HCOO]- 251.092501 165.4
[M+CH3COO]- 265.108151 183.6
[M+Na-2H]- 227.068966 148.1
[M]+ 206.09375142 145.3
[M]- 206.09484858 145.3
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.