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

40
Patents

182.08508 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.092356 132.7
[M+Na]+ 205.074298 140.4
[M-H]- 181.077804 135.2
[M+NH4]+ 200.118903 153.7
[M+K]+ 221.048238 135.1
[M+H-H2O]+ 165.082340 130.9
[M+HCOO]- 227.083281 151.1
[M+CH3COO]- 241.098931 176.5
[M+Na-2H]- 203.059746 141.5
[M]+ 182.08453142 136.8
[M]- 182.08562858 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