CID 137951661

Ethyl 2,2-dimethyl-4-sulfobutanoate

Structural Information

Molecular Formula
C8H15ClO4S
SMILES
CCOC(=O)C(C)(C)CCS(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO4S/c1-4-13-7(10)8(2,3)5-6-14(9,11)12/h4-6H2,1-3H3
InChIKey
QUHRMJVKOZDJHL-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonyl-2,2-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04524 154.5
[M+Na]+ 265.02718 162.8
[M+NH4]+ 260.07178 160.2
[M+K]+ 281.00112 157.6
[M-H]- 241.03068 150.8
[M+Na-2H]- 263.01263 155.3
[M]+ 242.03741 155.1
[M]- 242.03851 155.1
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

No patent data available for this compound.