CID 157009760

Isoketocamphoric acid

Structural Information

Molecular Formula
C10H16O5
SMILES
CC(=O)C(C)(C)C(CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H16O5/c1-6(11)10(2,3)7(4-8(12)13)5-9(14)15/h7H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKey
WLXCRBOZJKAXCC-UHFFFAOYSA-N
Compound name
3-(2-methyl-3-oxobutan-2-yl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09978 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 146.7
[M+Na]+ 239.08900 151.7
[M-H]- 215.09250 144.0
[M+NH4]+ 234.13360 163.5
[M+K]+ 255.06294 151.7
[M+H-H2O]+ 199.09704 142.5
[M+HCOO]- 261.09798 162.5
[M+CH3COO]- 275.11363 185.3
[M+Na-2H]- 237.07445 146.9
[M]+ 216.09923 147.8
[M]- 216.10033 147.8
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

No patent data available for this compound.