CID 212851

25173-12-0

Structural Information

Molecular Formula
C11H10O3
SMILES
C1C(C2=CC=CC=C2C1=O)CC(=O)O
InChI
InChI=1S/C11H10O3/c12-10-5-7(6-11(13)14)8-3-1-2-4-9(8)10/h1-4,7H,5-6H2,(H,13,14)
InChIKey
SOHVBHRLBOMHIS-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-dihydroinden-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

190.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 139.3
[M+Na]+ 213.05221 150.4
[M+NH4]+ 208.09681 147.5
[M+K]+ 229.02615 146.8
[M-H]- 189.05571 140.1
[M+Na-2H]- 211.03766 143.3
[M]+ 190.06244 140.9
[M]- 190.06354 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

literature stripe

Patent stripe

patents stripe