CID 57678654

4-(methoxymethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C8H11NO3S
SMILES
COCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C8H11NO3S/c1-12-6-7-2-4-8(5-3-7)13(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKey
MRIGYPXUXUWBPQ-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

201.04596 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.053236 139.8
[M+Na]+ 224.035178 148.4
[M-H]- 200.038684 143.5
[M+NH4]+ 219.079783 159.1
[M+K]+ 240.009118 145.8
[M+H-H2O]+ 184.043220 134.1
[M+HCOO]- 246.044161 159.2
[M+CH3COO]- 260.059811 182.2
[M+Na-2H]- 222.020626 144.6
[M]+ 201.04541142 142.4
[M]- 201.04650858 142.4
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