CID 83817122

6-oxo-octahydro-1h-indene-3a-carboxylic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CC2CC(=O)CCC2(C1)C(=O)O
InChI
InChI=1S/C10H14O3/c11-8-3-5-10(9(12)13)4-1-2-7(10)6-8/h7H,1-6H2,(H,12,13)
InChIKey
PSINJGYRAIKJBP-UHFFFAOYSA-N
Compound name
6-oxo-2,3,4,5,7,7a-hexahydro-1H-indene-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.9
[M+Na]+ 205.08352 149.1
[M+NH4]+ 200.12812 150.4
[M+K]+ 221.05746 144.3
[M-H]- 181.08702 141.0
[M+Na-2H]- 203.06897 144.0
[M]+ 182.09375 141.8
[M]- 182.09485 141.8
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