CID 124706498

3-methyl-5-(methylsulfanyl)pyridin-2-amine

Structural Information

Molecular Formula
C7H10N2S
SMILES
CC1=CC(=CN=C1N)SC
InChI
InChI=1S/C7H10N2S/c1-5-3-6(10-2)4-9-7(5)8/h3-4H,1-2H3,(H2,8,9)
InChIKey
GSYLQBDKDBGQEW-UHFFFAOYSA-N
Compound name
3-methyl-5-methylsulfanylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.05647 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06375 129.0
[M+Na]+ 177.04569 138.6
[M-H]- 153.04919 131.7
[M+NH4]+ 172.09029 149.4
[M+K]+ 193.01963 135.5
[M+H-H2O]+ 137.05373 123.0
[M+HCOO]- 199.05467 147.9
[M+CH3COO]- 213.07032 178.1
[M+Na-2H]- 175.03114 132.8
[M]+ 154.05592 129.8
[M]- 154.05702 129.8
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