CID 212526

24467-92-3

Structural Information

Molecular Formula
C12H12O4
SMILES
COC1=CC2=C(C=C1)C(=O)CC2CC(=O)O
InChI
InChI=1S/C12H12O4/c1-16-8-2-3-9-10(6-8)7(4-11(9)13)5-12(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKey
QOTZOFGBBCMWEP-UHFFFAOYSA-N
Compound name
2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

220.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 145.2
[M+Na]+ 243.06278 154.0
[M-H]- 219.06628 148.9
[M+NH4]+ 238.10738 166.1
[M+K]+ 259.03672 151.5
[M+H-H2O]+ 203.07082 140.3
[M+HCOO]- 265.07176 166.7
[M+CH3COO]- 279.08741 186.4
[M+Na-2H]- 241.04823 148.1
[M]+ 220.07301 147.4
[M]- 220.07411 147.4
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