CID 18464924

2-[(2-methylpropan-2-yl)oxy]ethyl methanesulfonate

Structural Information

Molecular Formula
C7H16O4S
SMILES
CC(C)(C)OCCOS(=O)(=O)C
InChI
InChI=1S/C7H16O4S/c1-7(2,3)10-5-6-11-12(4,8)9/h5-6H2,1-4H3
InChIKey
BFRZAOBUTPYLEH-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxy]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

196.07693 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.084206 141.5
[M+Na]+ 219.066148 149.3
[M-H]- 195.069654 142.2
[M+NH4]+ 214.110753 161.7
[M+K]+ 235.040088 149.2
[M+H-H2O]+ 179.074190 137.2
[M+HCOO]- 241.075131 157.9
[M+CH3COO]- 255.090781 180.4
[M+Na-2H]- 217.051596 146.4
[M]+ 196.07638142 148.5
[M]- 196.07747858 148.5
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