CID 2394017

(6,7-dihydro-5h-1-oxa-s-indacen-3-yl)-acetic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
C1CC2=CC3=C(C=C2C1)OC=C3CC(=O)O
InChI
InChI=1S/C13H12O3/c14-13(15)6-10-7-16-12-5-9-3-1-2-8(9)4-11(10)12/h4-5,7H,1-3,6H2,(H,14,15)
InChIKey
FFQRKQKXMFFTME-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

216.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 144.2
[M+Na]+ 239.06786 156.1
[M+NH4]+ 234.11246 153.3
[M+K]+ 255.04180 154.1
[M-H]- 215.07136 147.0
[M+Na-2H]- 237.05331 147.8
[M]+ 216.07809 146.6
[M]- 216.07919 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe