CID 97920

1-methoxypropan-2-yl methanesulfonate

Structural Information

Molecular Formula
C5H12O4S
SMILES
CC(COC)OS(=O)(=O)C
InChI
InChI=1S/C5H12O4S/c1-5(4-8-2)9-10(3,6)7/h5H,4H2,1-3H3
InChIKey
OFLUAKABUQZNOY-UHFFFAOYSA-N
Compound name
1-methoxypropan-2-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

168.04562 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052896 132.0
[M+Na]+ 191.034838 139.9
[M-H]- 167.038344 132.8
[M+NH4]+ 186.079443 153.0
[M+K]+ 207.008778 140.3
[M+H-H2O]+ 151.042880 127.5
[M+HCOO]- 213.043821 149.4
[M+CH3COO]- 227.059471 175.4
[M+Na-2H]- 189.020286 135.8
[M]+ 168.04507142 138.2
[M]- 168.04616858 138.2
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