CID 15566028

3,4-dihydroxybutan-2-one

Structural Information

Molecular Formula
C4H8O3
SMILES
CC(=O)C(CO)O
InChI
InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3
InChIKey
SEYLPRWNVFCVRQ-UHFFFAOYSA-N
Compound name
3,4-dihydroxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

165
Patents

104.04734 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.05462 119.1
[M+Na]+ 127.03656 127.9
[M+NH4]+ 122.08116 125.9
[M+K]+ 143.01050 125.2
[M-H]- 103.04006 116.5
[M+Na-2H]- 125.02201 121.3
[M]+ 104.04679 119.2
[M]- 104.04789 119.2
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