CID 3545497

2-(benzenesulfonyl)ethan-1-amine

Structural Information

Molecular Formula
C8H11NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CCN
InChI
InChI=1S/C8H11NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
HEKKXNNVIAECAN-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

185.05106 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 136.9
[M+Na]+ 208.040278 144.9
[M-H]- 184.043784 140.3
[M+NH4]+ 203.084883 156.7
[M+K]+ 224.014218 141.7
[M+H-H2O]+ 168.048320 131.2
[M+HCOO]- 230.049261 156.1
[M+CH3COO]- 244.064911 179.0
[M+Na-2H]- 206.025726 142.3
[M]+ 185.05051142 137.8
[M]- 185.05160858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe