CID 20119595

N-(2-aminoethyl)-1-phenylmethanesulfonamide

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)NCCN
InChI
InChI=1S/C9H14N2O2S/c10-6-7-11-14(12,13)8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
InChIKey
KOTXCAOSNRHIMI-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-1-phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

214.0776 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.084876 144.5
[M+Na]+ 237.066818 151.0
[M-H]- 213.070324 147.5
[M+NH4]+ 232.111423 162.6
[M+K]+ 253.040758 147.5
[M+H-H2O]+ 197.074860 138.0
[M+HCOO]- 259.075801 164.3
[M+CH3COO]- 273.091451 187.1
[M+Na-2H]- 235.052266 149.9
[M]+ 214.07705142 144.8
[M]- 214.07814858 144.8
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