CID 62349375

2839139-24-9

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CS(=O)(=O)C1=CC=CC=C1OCCN
InChI
InChI=1S/C9H13NO3S/c1-14(11,12)9-5-3-2-4-8(9)13-7-6-10/h2-5H,6-7,10H2,1H3
InChIKey
GWKGJQRAJPOIAW-UHFFFAOYSA-N
Compound name
2-(2-methylsulfonylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06161 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 144.3
[M+Na]+ 238.05083 152.5
[M-H]- 214.05433 147.8
[M+NH4]+ 233.09543 163.0
[M+K]+ 254.02477 149.6
[M+H-H2O]+ 198.05887 138.3
[M+HCOO]- 260.05981 163.3
[M+CH3COO]- 274.07546 185.3
[M+Na-2H]- 236.03628 148.6
[M]+ 215.06106 147.3
[M]- 215.06216 147.3
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.