CID 251957

1,3-dihydroindene-2,2-dicarboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
C1C2=CC=CC=C2CC1(C(=O)O)C(=O)O
InChI
InChI=1S/C11H10O4/c12-9(13)11(10(14)15)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKey
RYGAENQWIQPFAI-UHFFFAOYSA-N
Compound name
1,3-dihydroindene-2,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

206.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 143.0
[M+Na]+ 229.04712 150.7
[M-H]- 205.05062 145.2
[M+NH4]+ 224.09172 165.1
[M+K]+ 245.02106 148.2
[M+H-H2O]+ 189.05516 139.0
[M+HCOO]- 251.05610 162.3
[M+CH3COO]- 265.07175 178.9
[M+Na-2H]- 227.03257 147.3
[M]+ 206.05735 141.9
[M]- 206.05845 141.9
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