CID 23423787

38240-18-5

Structural Information

Molecular Formula
C6H8N2S
SMILES
CSC1=CC=CC(=N1)N
InChI
InChI=1S/C6H8N2S/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3,(H2,7,8)
InChIKey
HLJREQVAVOEDKZ-UHFFFAOYSA-N
Compound name
6-methylsulfanylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

140.04082 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 124.6
[M+Na]+ 163.03004 133.8
[M-H]- 139.03354 127.1
[M+NH4]+ 158.07464 145.3
[M+K]+ 179.00398 130.9
[M+H-H2O]+ 123.03808 118.6
[M+HCOO]- 185.03902 143.9
[M+CH3COO]- 199.05467 174.0
[M+Na-2H]- 161.01549 129.6
[M]+ 140.04027 124.7
[M]- 140.04137 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe