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]+ 258.07945 154.3
[M+Na]+ 280.06139 160.3
[M-H]- 256.06489 156.7
[M+NH4]+ 275.10599 170.1
[M+K]+ 296.03533 152.7
[M+H-H2O]+ 240.06943 153.1
[M+HCOO]- 302.07037 170.7
[M+CH3COO]- 316.08602 183.3
[M+Na-2H]- 278.04684 158.6
[M]+ 257.07162 154.0
[M]- 257.07272 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.