CID 170297

3-hydroxy-2-(hydroxymethyl)propanal

Structural Information

Molecular Formula
C4H8O3
SMILES
C(C(CO)C=O)O
InChI
InChI=1S/C4H8O3/c5-1-4(2-6)3-7/h1,4,6-7H,2-3H2
InChIKey
SHAAIYJHUTYDST-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(hydroxymethyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

104.04734 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.05462 118.8
[M+Na]+ 127.03656 128.0
[M+NH4]+ 122.08116 125.7
[M+K]+ 143.01050 124.4
[M-H]- 103.04006 116.4
[M+Na-2H]- 125.02201 121.4
[M]+ 104.04679 119.0
[M]- 104.04789 119.0
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