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]+ 217.107056 148.2
[M+Na]+ 239.088998 150.8
[M-H]- 215.092504 148.3
[M+NH4]+ 234.133603 163.1
[M+K]+ 255.062938 151.3
[M+H-H2O]+ 199.097040 142.3
[M+HCOO]- 261.097981 162.5
[M+CH3COO]- 275.113631 181.7
[M+Na-2H]- 237.074446 149.3
[M]+ 216.09923142 144.9
[M]- 216.10032858 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.