CID 91239

5-hydroxy-2-methyl-1,3-dioxane-4-carbaldehyde

Structural Information

Molecular Formula
C6H10O4
SMILES
CC1OCC(C(O1)C=O)O
InChI
InChI=1S/C6H10O4/c1-4-9-3-5(8)6(2-7)10-4/h2,4-6,8H,3H2,1H3
InChIKey
HVAFLFRNUVFTBL-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-1,3-dioxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

146.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 126.7
[M+Na]+ 169.047118 134.1
[M-H]- 145.050624 130.4
[M+NH4]+ 164.091723 145.1
[M+K]+ 185.021058 135.9
[M+H-H2O]+ 129.055160 122.0
[M+HCOO]- 191.056101 145.7
[M+CH3COO]- 205.071751 170.5
[M+Na-2H]- 167.032566 133.9
[M]+ 146.05735142 126.6
[M]- 146.05844858 126.6
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

patents stripe