CID 12486323

2,3-dimethoxypropan-1-ol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1256
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 124.2
[M+Na]+ 143.06786 131.1
[M-H]- 119.07136 123.2
[M+NH4]+ 138.11246 146.0
[M+K]+ 159.04180 132.1
[M+H-H2O]+ 103.07590 119.9
[M+HCOO]- 165.07684 146.5
[M+CH3COO]- 179.09249 168.3
[M+Na-2H]- 141.05331 130.0
[M]+ 120.07809 126.9
[M]- 120.07919 126.9
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