CID 115347

4-s-cysteaminylphenol

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1=CC(=CC=C1O)SCCN
InChI
InChI=1S/C8H11NOS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2
InChIKey
LGHNHPRURDSNNK-UHFFFAOYSA-N
Compound name
4-(2-aminoethylsulfanyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

55
Patents

169.05614 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 133.1
[M+Na]+ 192.045358 140.7
[M-H]- 168.048864 135.2
[M+NH4]+ 187.089963 153.1
[M+K]+ 208.019298 137.0
[M+H-H2O]+ 152.053400 127.5
[M+HCOO]- 214.054341 151.7
[M+CH3COO]- 228.069991 176.8
[M+Na-2H]- 190.030806 136.7
[M]+ 169.05559142 132.9
[M]- 169.05668858 132.9
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