CID 43316826

2-(4-methanesulfonylphenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC(CN)C1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C10H15NO2S/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,7,11H2,1-2H3
InChIKey
KTRIMZPQYWSEMI-UHFFFAOYSA-N
Compound name
2-(4-methylsulfonylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.08235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.089626 145.4
[M+Na]+ 236.071568 153.0
[M-H]- 212.075074 148.8
[M+NH4]+ 231.116173 164.2
[M+K]+ 252.045508 149.9
[M+H-H2O]+ 196.079610 139.6
[M+HCOO]- 258.080551 162.8
[M+CH3COO]- 272.096201 187.0
[M+Na-2H]- 234.057016 148.0
[M]+ 213.08180142 146.7
[M]- 213.08289858 146.7
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.