CID 17844

P-toluenesulfonamide, n-(tert-butyl)-

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CC1=CC=C(C=C1)S(=NC(C)(C)C)(=O)O
InChI
InChI=1S/C11H17NO2S/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4/h5-8H,1-4H3,(H,12,13,14)
InChIKey
ZQRLETIQVVJIMC-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-methylbenzenesulfonimidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.105276 150.0
[M+Na]+ 250.087218 157.9
[M-H]- 226.090724 154.1
[M+NH4]+ 245.131823 168.8
[M+K]+ 266.061158 155.1
[M+H-H2O]+ 210.095260 144.5
[M+HCOO]- 272.096201 167.2
[M+CH3COO]- 286.111851 188.9
[M+Na-2H]- 248.072666 155.1
[M]+ 227.09745142 152.6
[M]- 227.09854858 152.6
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.