CID 65360

2-acrylamido-2-methyl-1-propanesulfonic acid

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CC(C)(CS(=O)(=O)O)NC(=O)C=C
InChI
InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
InChIKey
XHZPRMZZQOIPDS-UHFFFAOYSA-N
Compound name
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

168
References

119810
Patents

207.05653 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 143.3
[M+Na]+ 230.045748 149.9
[M-H]- 206.049254 142.3
[M+NH4]+ 225.090353 161.4
[M+K]+ 246.019688 147.8
[M+H-H2O]+ 190.053790 138.8
[M+HCOO]- 252.054731 158.3
[M+CH3COO]- 266.070381 181.6
[M+Na-2H]- 228.031196 147.1
[M]+ 207.05598142 145.3
[M]- 207.05707858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe