CID 25023016

Sodium 2-(dimethylamino)-1-hydroxyethanesulfonate

Structural Information

Molecular Formula
C4H11NO4S
SMILES
CN(C)CC(O)S(=O)(=O)O
InChI
InChI=1S/C4H11NO4S/c1-5(2)3-4(6)10(7,8)9/h4,6H,3H2,1-2H3,(H,7,8,9)
InChIKey
HQYARNPZNSPDEV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-hydroxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

169.04088 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.048156 132.1
[M+Na]+ 192.030098 138.6
[M-H]- 168.033604 131.3
[M+NH4]+ 187.074703 151.7
[M+K]+ 208.004038 138.6
[M+H-H2O]+ 152.038140 127.3
[M+HCOO]- 214.039081 148.0
[M+CH3COO]- 228.054731 175.6
[M+Na-2H]- 190.015546 135.0
[M]+ 169.04033142 134.3
[M]- 169.04142858 134.3
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