CID 60916723

3-(2-methanesulfonylethoxy)pyridin-2-amine

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CS(=O)(=O)CCOC1=C(N=CC=C1)N
InChI
InChI=1S/C8H12N2O3S/c1-14(11,12)6-5-13-7-3-2-4-10-8(7)9/h2-4H,5-6H2,1H3,(H2,9,10)
InChIKey
KFRVEYWMIXQWFG-UHFFFAOYSA-N
Compound name
3-(2-methylsulfonylethoxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05687 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 144.2
[M+Na]+ 239.04609 152.8
[M-H]- 215.04959 146.4
[M+NH4]+ 234.09069 161.5
[M+K]+ 255.02003 150.1
[M+H-H2O]+ 199.05413 137.6
[M+HCOO]- 261.05507 162.3
[M+CH3COO]- 275.07072 184.9
[M+Na-2H]- 237.03154 149.0
[M]+ 216.05632 147.3
[M]- 216.05742 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.