CID 22595786

1,3-dimethoxypropan-2-yl methanesulfonate

Structural Information

Molecular Formula
C6H14O5S
SMILES
COCC(COC)OS(=O)(=O)C
InChI
InChI=1S/C6H14O5S/c1-9-4-6(5-10-2)11-12(3,7)8/h6H,4-5H2,1-3H3
InChIKey
FPYFLECMGUTMQO-UHFFFAOYSA-N
Compound name
1,3-dimethoxypropan-2-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

198.0562 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06348 142.0
[M+Na]+ 221.04542 149.9
[M+NH4]+ 216.09002 147.8
[M+K]+ 237.01936 145.4
[M-H]- 197.04892 138.8
[M+Na-2H]- 219.03087 143.1
[M]+ 198.05565 142.4
[M]- 198.05675 142.4
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