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

58
Patents

190.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 138.4
[M+Na]+ 213.052208 146.8
[M-H]- 189.055714 141.9
[M+NH4]+ 208.096813 160.3
[M+K]+ 229.026148 144.0
[M+H-H2O]+ 173.060250 133.6
[M+HCOO]- 235.061191 160.0
[M+CH3COO]- 249.076841 180.0
[M+Na-2H]- 211.037656 142.3
[M]+ 190.06244142 138.3
[M]- 190.06353858 138.3
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