CID 17861008

5-methanesulfonylpyridin-2-amine

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CS(=O)(=O)C1=CN=C(C=C1)N
InChI
InChI=1S/C6H8N2O2S/c1-11(9,10)5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
InChIKey
YDVCUSJBYYFJPM-UHFFFAOYSA-N
Compound name
5-methylsulfonylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

172.03065 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 132.2
[M+Na]+ 195.01987 141.9
[M-H]- 171.02337 134.9
[M+NH4]+ 190.06447 151.4
[M+K]+ 210.99381 139.1
[M+H-H2O]+ 155.02791 126.3
[M+HCOO]- 217.02885 150.7
[M+CH3COO]- 231.04450 176.7
[M+Na-2H]- 193.00532 137.8
[M]+ 172.03010 133.1
[M]- 172.03120 133.1
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