CID 14006032

2-(hydroxymethyl)-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CN(C)S(=O)(=O)C1=CC=CC=C1CO
InChI
InChI=1S/C9H13NO3S/c1-10(2)14(12,13)9-6-4-3-5-8(9)7-11/h3-6,11H,7H2,1-2H3
InChIKey
KBDKCOUCORRGTM-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.06161 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.068886 143.8
[M+Na]+ 238.050828 151.6
[M-H]- 214.054334 147.9
[M+NH4]+ 233.095433 162.6
[M+K]+ 254.024768 149.7
[M+H-H2O]+ 198.058870 137.9
[M+HCOO]- 260.059811 162.4
[M+CH3COO]- 274.075461 186.8
[M+Na-2H]- 236.036276 148.0
[M]+ 215.06106142 147.1
[M]- 215.06215858 147.1
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