CID 57792689

1-[[(methylthio)carbonyl]oxy]ethyl 2-methylpropanoate

Structural Information

Molecular Formula
C8H14O4S
SMILES
CC(C)C(=O)OC(C)OC(=O)SC
InChI
InChI=1S/C8H14O4S/c1-5(2)7(9)11-6(3)12-8(10)13-4/h5-6H,1-4H3
InChIKey
HRMLDMALWZLZAF-UHFFFAOYSA-N
Compound name
1-methylsulfanylcarbonyloxyethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

206.06128 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06856 145.0
[M+Na]+ 229.05050 150.8
[M-H]- 205.05400 145.3
[M+NH4]+ 224.09510 164.3
[M+K]+ 245.02444 151.5
[M+H-H2O]+ 189.05854 139.7
[M+HCOO]- 251.05948 159.9
[M+CH3COO]- 265.07513 184.6
[M+Na-2H]- 227.03595 143.2
[M]+ 206.06073 150.7
[M]- 206.06183 150.7
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