CID 71648186

1-(4-methoxyphenyl)-n-methylmethanesulfonamide

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CNS(=O)(=O)CC1=CC=C(C=C1)OC
InChI
InChI=1S/C9H13NO3S/c1-10-14(11,12)7-8-3-5-9(13-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey
PMQYYUPNRZRMPI-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.068886 143.8
[M+Na]+ 238.050828 152.0
[M-H]- 214.054334 147.9
[M+NH4]+ 233.095433 162.8
[M+K]+ 254.024768 149.5
[M+H-H2O]+ 198.058870 137.9
[M+HCOO]- 260.059811 163.5
[M+CH3COO]- 274.075461 185.9
[M+Na-2H]- 236.036276 149.2
[M]+ 215.06106142 147.8
[M]- 215.06215858 147.8
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