CID 5028412

2,3,5,6-tetramethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC1=CC(=C(C(=C1C)S(=O)(=O)N)C)C
InChI
InChI=1S/C10H15NO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3,(H2,11,12,13)
InChIKey
WOTPIPCWLVBYSQ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

213.08235 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 143.3
[M+Na]+ 236.07157 153.8
[M-H]- 212.07507 147.8
[M+NH4]+ 231.11617 163.1
[M+K]+ 252.04551 150.4
[M+H-H2O]+ 196.07961 138.2
[M+HCOO]- 258.08055 161.6
[M+CH3COO]- 272.09620 189.9
[M+Na-2H]- 234.05702 145.1
[M]+ 213.08180 146.4
[M]- 213.08290 146.4
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

patents stripe