CID 13860556

4-hydroxyoxane-4-carboxylic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
C1COCCC1(C(=O)O)O
InChI
InChI=1S/C6H10O4/c7-5(8)6(9)1-3-10-4-2-6/h9H,1-4H2,(H,7,8)
InChIKey
BCYNNNPXILUPDU-UHFFFAOYSA-N
Compound name
4-hydroxyoxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

146.0579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 128.0
[M+Na]+ 169.047118 133.6
[M-H]- 145.050624 129.3
[M+NH4]+ 164.091723 148.2
[M+K]+ 185.021058 134.4
[M+H-H2O]+ 129.055160 124.0
[M+HCOO]- 191.056101 145.3
[M+CH3COO]- 205.071751 165.9
[M+Na-2H]- 167.032566 134.9
[M]+ 146.05735142 124.3
[M]- 146.05844858 124.3
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

patents stripe