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 139.5
[M+Na]+ 221.04542 146.8
[M-H]- 197.04892 140.0
[M+NH4]+ 216.09002 159.1
[M+K]+ 237.01936 147.4
[M+H-H2O]+ 181.05346 134.5
[M+HCOO]- 243.05440 156.8
[M+CH3COO]- 257.07005 180.5
[M+Na-2H]- 219.03087 143.0
[M]+ 198.05565 147.5
[M]- 198.05675 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