CID 12190

1,3-dimethoxypropan-2-ol

Structural Information

Molecular Formula
C5H12O3
SMILES
COCC(COC)O
InChI
InChI=1S/C5H12O3/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
InChIKey
ZESKRVSPQJVIMH-UHFFFAOYSA-N
Compound name
1,3-dimethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1576
Patents

120.07864 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.08592 123.3
[M+Na]+ 143.06786 132.8
[M+NH4]+ 138.11246 130.7
[M+K]+ 159.04180 128.8
[M-H]- 119.07136 121.7
[M+Na-2H]- 141.05331 126.4
[M]+ 120.07809 123.9
[M]- 120.07919 123.9
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