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 139.5
[M+Na]+ 205.08352 148.6
[M-H]- 181.08702 141.7
[M+NH4]+ 200.12812 168.0
[M+K]+ 221.05746 146.2
[M+H-H2O]+ 165.09156 137.7
[M+HCOO]- 227.09250 158.8
[M+CH3COO]- 241.10815 178.7
[M+Na-2H]- 203.06897 143.4
[M]+ 182.09375 139.6
[M]- 182.09485 139.6
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.