CID 23342914

5-methanesulfinylpyridin-2-amine

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CS(=O)C1=CN=C(C=C1)N
InChI
InChI=1S/C6H8N2OS/c1-10(9)5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
InChIKey
RYVCOMPFOKUUJB-UHFFFAOYSA-N
Compound name
5-methylsulfinylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.03574 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 128.2
[M+Na]+ 179.02496 137.2
[M-H]- 155.02846 130.8
[M+NH4]+ 174.06956 148.1
[M+K]+ 194.99890 134.6
[M+H-H2O]+ 139.03300 122.0
[M+HCOO]- 201.03394 146.9
[M+CH3COO]- 215.04959 176.0
[M+Na-2H]- 177.01041 132.1
[M]+ 156.03519 128.4
[M]- 156.03629 128.4
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