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

69
Patents

196.07693 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08421 141.5
[M+Na]+ 219.06615 149.3
[M-H]- 195.06965 142.2
[M+NH4]+ 214.11075 161.7
[M+K]+ 235.04009 149.2
[M+H-H2O]+ 179.07419 137.2
[M+HCOO]- 241.07513 157.9
[M+CH3COO]- 255.09078 180.4
[M+Na-2H]- 217.05160 146.4
[M]+ 196.07638 148.5
[M]- 196.07748 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