CID 11074093

3-methanesulfonyl-n-methylaniline

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CNC1=CC(=CC=C1)S(=O)(=O)C
InChI
InChI=1S/C8H11NO2S/c1-9-7-4-3-5-8(6-7)12(2,10)11/h3-6,9H,1-2H3
InChIKey
CYSBKMAGWFJGLN-UHFFFAOYSA-N
Compound name
N-methyl-3-methylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

185.05106 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 136.0
[M+Na]+ 208.04028 144.8
[M-H]- 184.04378 140.3
[M+NH4]+ 203.08488 156.3
[M+K]+ 224.01422 142.1
[M+H-H2O]+ 168.04832 130.5
[M+HCOO]- 230.04926 155.7
[M+CH3COO]- 244.06491 180.8
[M+Na-2H]- 206.02573 141.7
[M]+ 185.05051 138.2
[M]- 185.05161 138.2
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

patents stripe