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

45
Patents

198.0562 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063476 139.5
[M+Na]+ 221.045418 146.8
[M-H]- 197.048924 140.0
[M+NH4]+ 216.090023 159.1
[M+K]+ 237.019358 147.4
[M+H-H2O]+ 181.053460 134.5
[M+HCOO]- 243.054401 156.8
[M+CH3COO]- 257.070051 180.5
[M+Na-2H]- 219.030866 143.0
[M]+ 198.05565142 147.5
[M]- 198.05674858 147.5
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