CID 6913182

Sodium sulfonato-phenyl-t-butylnitrone

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CCC(C)/[N+](=C/C1=CC=CC=C1S(=O)(=O)O)/[O-]
InChI
InChI=1S/C11H15NO4S/c1-3-9(2)12(13)8-10-6-4-5-7-11(10)17(14,15)16/h4-9H,3H2,1-2H3,(H,14,15,16)/b12-8-
InChIKey
IJOJTKTYGVLUIN-WQLSENKSSA-N
Compound name
N-butan-2-yl-1-(2-sulfophenyl)methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.07217 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.079446 154.3
[M+Na]+ 280.061388 160.3
[M-H]- 256.064894 156.7
[M+NH4]+ 275.105993 170.1
[M+K]+ 296.035328 152.7
[M+H-H2O]+ 240.069430 153.1
[M+HCOO]- 302.070371 170.7
[M+CH3COO]- 316.086021 183.3
[M+Na-2H]- 278.046836 158.6
[M]+ 257.07162142 154.0
[M]- 257.07271858 154.0
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.