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]+ 217.107056 146.7
[M+Na]+ 239.088998 151.7
[M-H]- 215.092504 144.0
[M+NH4]+ 234.133603 163.5
[M+K]+ 255.062938 151.7
[M+H-H2O]+ 199.097040 142.5
[M+HCOO]- 261.097981 162.5
[M+CH3COO]- 275.113631 185.3
[M+Na-2H]- 237.074446 146.9
[M]+ 216.09923142 147.8
[M]- 216.10032858 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.