CID 54594448

5-chloro-6-[(methylsulfanyl)methyl]pyridin-2-amine

Structural Information

Molecular Formula
C7H9ClN2S
SMILES
CSCC1=C(C=CC(=N1)N)Cl
InChI
InChI=1S/C7H9ClN2S/c1-11-4-6-5(8)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10)
InChIKey
QJKGQDMQVRWUQO-UHFFFAOYSA-N
Compound name
5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0175 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02478 134.8
[M+Na]+ 211.00672 144.9
[M-H]- 187.01022 137.3
[M+NH4]+ 206.05132 154.6
[M+K]+ 226.98066 140.0
[M+H-H2O]+ 171.01476 129.6
[M+HCOO]- 233.01570 149.1
[M+CH3COO]- 247.03135 181.9
[M+Na-2H]- 208.99217 138.1
[M]+ 188.01695 137.3
[M]- 188.01805 137.3
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.