CID 160766

Sulfobetaine

Structural Information

Molecular Formula
C4H9O2S
SMILES
C[S+](C)CC(=O)O
InChI
InChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3/p+1
InChIKey
PSBDWGZCVUAZQS-UHFFFAOYSA-O
Compound name
carboxymethyl(dimethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

31145
Patents

121.032326 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03960 119.9
[M+Na]+ 144.02154 131.1
[M+NH4]+ 139.06615 129.1
[M+K]+ 159.99548 126.2
[M-H]- 120.02505 120.4
[M+Na-2H]- 142.00699 123.4
[M]+ 121.03178 122.2
[M]- 121.03287 122.2
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