CID 670

1,3-dihydroxyacetone

Structural Information

Molecular Formula
C3H6O3
SMILES
C(C(=O)CO)O
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKey
RXKJFZQQPQGTFL-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3168
References

68942
Patents

90.03169 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.038966 114.4
[M+Na]+ 113.02091 123.7
[M+NH4]+ 108.06551 121.4
[M+K]+ 128.99485 120.4
[M-H]- 89.024414 112.1
[M+Na-2H]- 111.00636 117.2
[M]+ 90.031141 114.6
[M]- 90.032239 114.6
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