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]+ 207.10158 145.4
[M+Na]+ 229.08352 151.8
[M-H]- 205.08702 148.3
[M+NH4]+ 224.12812 166.3
[M+K]+ 245.05746 149.8
[M+H-H2O]+ 189.09156 140.1
[M+HCOO]- 251.09250 165.4
[M+CH3COO]- 265.10815 183.6
[M+Na-2H]- 227.06897 148.1
[M]+ 206.09375 145.3
[M]- 206.09485 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.