CID 4156

Methyl methanesulfonate

Structural Information

Molecular Formula
C2H6O3S
SMILES
COS(=O)(=O)C
InChI
InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
InChIKey
MBABOKRGFJTBAE-UHFFFAOYSA-N
Compound name
methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3022
References

27873
Patents

110.00377 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.011046 115.3
[M+Na]+ 132.992988 125.0
[M-H]- 108.996494 116.8
[M+NH4]+ 128.037593 138.9
[M+K]+ 148.966928 125.2
[M+H-H2O]+ 93.001030 111.6
[M+HCOO]- 155.001971 134.5
[M+CH3COO]- 169.017621 163.5
[M+Na-2H]- 130.978436 121.5
[M]+ 110.00322142 119.6
[M]- 110.00431858 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe