CID 20394456

2-(2,3-dihydro-1h-inden-5-yl)-2-oxoacetic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC2=C(C1)C=C(C=C2)C(=O)C(=O)O
InChI
InChI=1S/C11H10O3/c12-10(11(13)14)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,13,14)
InChIKey
UYXWKABXDGYZSR-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

190.06299 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 139.3
[M+Na]+ 213.05221 146.6
[M-H]- 189.05571 142.6
[M+NH4]+ 208.09681 160.8
[M+K]+ 229.02615 144.2
[M+H-H2O]+ 173.06025 134.4
[M+HCOO]- 235.06119 159.9
[M+CH3COO]- 249.07684 179.7
[M+Na-2H]- 211.03766 142.7
[M]+ 190.06244 138.2
[M]- 190.06354 138.2
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

patents stripe