CID 3023186

Ns00123160

Structural Information

Molecular Formula
C11H22N2O4S
SMILES
CC(C(CNC(=O)C(=C)C)CN(C)C)S(=O)(=O)O
InChI
InChI=1S/C11H22N2O4S/c1-8(2)11(14)12-6-10(7-13(4)5)9(3)18(15,16)17/h9-10H,1,6-7H2,2-5H3,(H,12,14)(H,15,16,17)
InChIKey
LIWDKFAZOGWIOF-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-(2-methylprop-2-enoylamino)butane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13004 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.137316 163.8
[M+Na]+ 301.119258 166.7
[M-H]- 277.122764 163.3
[M+NH4]+ 296.163863 179.0
[M+K]+ 317.093198 166.3
[M+H-H2O]+ 261.127300 157.5
[M+HCOO]- 323.128241 177.3
[M+CH3COO]- 337.143891 204.5
[M+Na-2H]- 299.104706 161.3
[M]+ 278.12949142 166.4
[M]- 278.13058858 166.4
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

No patent data available for this compound.