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]+ 228.10528 150.0
[M+Na]+ 250.08722 157.9
[M-H]- 226.09072 154.1
[M+NH4]+ 245.13182 168.8
[M+K]+ 266.06116 155.1
[M+H-H2O]+ 210.09526 144.5
[M+HCOO]- 272.09620 167.2
[M+CH3COO]- 286.11185 188.9
[M+Na-2H]- 248.07267 155.1
[M]+ 227.09745 152.6
[M]- 227.09855 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.