CID 20432232

2-(methoxymethyl)propane-1,3-diol

Structural Information

Molecular Formula
C5H12O3
SMILES
COCC(CO)CO
InChI
InChI=1S/C5H12O3/c1-8-4-5(2-6)3-7/h5-7H,2-4H2,1H3
InChIKey
WCOCACOWLDIOSI-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

120.07864 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.08592 123.8
[M+Na]+ 143.06786 132.7
[M+NH4]+ 138.11246 130.8
[M+K]+ 159.04180 129.0
[M-H]- 119.07136 121.6
[M+Na-2H]- 141.05331 126.2
[M]+ 120.07809 124.1
[M]- 120.07919 124.1
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