CID 146050328

1-[3-(ethanesulfonyl)pyridin-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CCS(=O)(=O)C1=C(N=CC=C1)CN
InChI
InChI=1S/C8H12N2O2S/c1-2-13(11,12)8-4-3-5-10-7(8)6-9/h3-5H,2,6,9H2,1H3
InChIKey
IRWFGIGOFZWMAM-UHFFFAOYSA-N
Compound name
(3-ethylsulfonylpyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06195 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 141.0
[M+Na]+ 223.05117 149.9
[M-H]- 199.05467 143.3
[M+NH4]+ 218.09577 159.1
[M+K]+ 239.02511 146.6
[M+H-H2O]+ 183.05921 134.7
[M+HCOO]- 245.06015 158.9
[M+CH3COO]- 259.07580 182.8
[M+Na-2H]- 221.03662 145.7
[M]+ 200.06140 142.7
[M]- 200.06250 142.7
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.