CID 101134238

3-(oxan-4-yl)pentanedioic acid

Structural Information

Molecular Formula
C10H16O5
SMILES
C1COCCC1C(CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H16O5/c11-9(12)5-8(6-10(13)14)7-1-3-15-4-2-7/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKey
GAEHHQXUAGOYTA-UHFFFAOYSA-N
Compound name
3-(oxan-4-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 148.2
[M+Na]+ 239.08900 150.8
[M-H]- 215.09250 148.3
[M+NH4]+ 234.13360 163.1
[M+K]+ 255.06294 151.3
[M+H-H2O]+ 199.09704 142.3
[M+HCOO]- 261.09798 162.5
[M+CH3COO]- 275.11363 181.7
[M+Na-2H]- 237.07445 149.3
[M]+ 216.09923 144.9
[M]- 216.10033 144.9
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.