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

34
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 132.7
[M+Na]+ 205.07430 140.4
[M-H]- 181.07780 135.2
[M+NH4]+ 200.11890 153.7
[M+K]+ 221.04824 135.1
[M+H-H2O]+ 165.08234 130.9
[M+HCOO]- 227.08328 151.1
[M+CH3COO]- 241.09893 176.5
[M+Na-2H]- 203.05975 141.5
[M]+ 182.08453 136.8
[M]- 182.08563 136.8
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