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

114
Patents

120.07864 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.085916 125.1
[M+Na]+ 143.067858 131.6
[M-H]- 119.071364 122.7
[M+NH4]+ 138.112463 146.2
[M+K]+ 159.041798 131.6
[M+H-H2O]+ 103.075900 120.9
[M+HCOO]- 165.076841 145.9
[M+CH3COO]- 179.092491 165.6
[M+Na-2H]- 141.053306 130.3
[M]+ 120.07809142 125.8
[M]- 120.07918858 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