CID 12007536

Methyl 2-methanesulfonylpropanoate

Structural Information

Molecular Formula

C₅H₁₀O₄S

SMILES

CC(C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C5H10O4S/c1-4(5(6)9-2)10(3,7)8/h4H,1-3H3

InChIKey

QJHLMQITLBMLKQ-UHFFFAOYSA-N

Compound name

methyl 2-methylsulfonylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 166.02998 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.03726	134.6
[M+Na]+	189.01920	142.9
[M+NH4]+	184.06380	140.8
[M+K]+	204.99314	138.7
[M-H]-	165.02270	131.5
[M+Na-2H]-	187.00465	135.9
[M]+	166.02943	135.0
[M]-	166.03053	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe