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

118
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 125.1
[M+Na]+ 143.06786 131.6
[M-H]- 119.07136 122.7
[M+NH4]+ 138.11246 146.2
[M+K]+ 159.04180 131.6
[M+H-H2O]+ 103.07590 120.9
[M+HCOO]- 165.07684 145.9
[M+CH3COO]- 179.09249 165.6
[M+Na-2H]- 141.05331 130.3
[M]+ 120.07809 125.8
[M]- 120.07919 125.8
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