CID 82494929

2-amino-1-[4-(ethanesulfonyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)C(CN)O
InChI
InChI=1S/C10H15NO3S/c1-2-15(13,14)9-5-3-8(4-6-9)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3
InChIKey
YRLVFTJFILTSOL-UHFFFAOYSA-N
Compound name
2-amino-1-(4-ethylsulfonylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.07727 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08455 149.0
[M+Na]+ 252.06649 155.9
[M-H]- 228.06999 150.9
[M+NH4]+ 247.11109 166.3
[M+K]+ 268.04043 152.5
[M+H-H2O]+ 212.07453 143.2
[M+HCOO]- 274.07547 165.1
[M+CH3COO]- 288.09112 186.7
[M+Na-2H]- 250.05194 151.3
[M]+ 229.07672 149.8
[M]- 229.07782 149.8
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

No patent data available for this compound.