CID 63203555

933705-18-1

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CS(=O)(=O)C1=CC=CC=C1CCN
InChI
InChI=1S/C9H13NO2S/c1-13(11,12)9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKey
KZCCTNYYIOIHOP-UHFFFAOYSA-N
Compound name
2-(2-methylsulfonylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.0667 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 141.0
[M+Na]+ 222.05592 149.3
[M-H]- 198.05942 144.5
[M+NH4]+ 217.10052 160.4
[M+K]+ 238.02986 146.0
[M+H-H2O]+ 182.06396 135.3
[M+HCOO]- 244.06490 159.8
[M+CH3COO]- 258.08055 183.2
[M+Na-2H]- 220.04137 145.1
[M]+ 199.06615 142.5
[M]- 199.06725 142.5
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