CID 4653786

(-)-cis-isoketopinic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
CC12CCC(C1(C)C(=O)O)CC2=O
InChI
InChI=1S/C10H14O3/c1-9-4-3-6(5-7(9)11)10(9,2)8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKey
LGEPPIZTYFKCQZ-UHFFFAOYSA-N
Compound name
1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.1
[M+Na]+ 205.08352 147.5
[M+NH4]+ 200.12812 150.8
[M+K]+ 221.05746 143.3
[M-H]- 181.08702 138.6
[M+Na-2H]- 203.06897 142.7
[M]+ 182.09375 140.6
[M]- 182.09485 140.6
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

No patent data available for this compound.