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

95
Patents

168.04562 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05290 132.0
[M+Na]+ 191.03484 139.9
[M-H]- 167.03834 132.8
[M+NH4]+ 186.07944 153.0
[M+K]+ 207.00878 140.3
[M+H-H2O]+ 151.04288 127.5
[M+HCOO]- 213.04382 149.4
[M+CH3COO]- 227.05947 175.4
[M+Na-2H]- 189.02029 135.8
[M]+ 168.04507 138.2
[M]- 168.04617 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