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

93
Patents

146.0579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 128.0
[M+Na]+ 169.04712 133.6
[M-H]- 145.05062 129.3
[M+NH4]+ 164.09172 148.2
[M+K]+ 185.02106 134.4
[M+H-H2O]+ 129.05516 124.0
[M+HCOO]- 191.05610 145.3
[M+CH3COO]- 205.07175 165.9
[M+Na-2H]- 167.03257 134.9
[M]+ 146.05735 124.3
[M]- 146.05845 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