CID 62910

2-(prop-2-enoylamino)butane-2-sulfonic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2964
Patents

207.05653 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 147.1
[M+Na]+ 230.04575 153.0
[M+NH4]+ 225.09035 151.6
[M+K]+ 246.01969 149.5
[M-H]- 206.04925 142.8
[M+Na-2H]- 228.03120 147.1
[M]+ 207.05598 146.6
[M]- 207.05708 146.6
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

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