CID 107476

Choline, methanesulfonate (ester)

Structural Information

Molecular Formula
C6H16NO3S
SMILES
C[N+](C)(C)CCOS(=O)(=O)C
InChI
InChI=1S/C6H16NO3S/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3/q+1
InChIKey
HRBHCOBUMWVPFC-UHFFFAOYSA-N
Compound name
trimethyl(2-methylsulfonyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

182.08508 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09236 136.6
[M+Na]+ 205.07430 147.0
[M+NH4]+ 200.11890 144.7
[M+K]+ 221.04824 142.3
[M-H]- 181.07780 136.7
[M+Na-2H]- 203.05975 140.5
[M]+ 182.08453 138.8
[M]- 182.08563 138.8
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