CID 21340903

27917-33-5

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CNCCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C9H14N2O2S/c1-11-7-6-8-2-4-9(5-3-8)14(10,12)13/h2-5,11H,6-7H2,1H3,(H2,10,12,13)
InChIKey
IFGFRKSVESNAHH-UHFFFAOYSA-N
Compound name
4-[2-(methylamino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

214.0776 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.084876 144.5
[M+Na]+ 237.066818 151.9
[M-H]- 213.070324 147.9
[M+NH4]+ 232.111423 162.9
[M+K]+ 253.040758 148.4
[M+H-H2O]+ 197.074860 138.3
[M+HCOO]- 259.075801 164.2
[M+CH3COO]- 273.091451 188.2
[M+Na-2H]- 235.052266 149.2
[M]+ 214.07705142 145.2
[M]- 214.07814858 145.2
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