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]+ 189.024776 134.8
[M+Na]+ 211.006718 144.9
[M-H]- 187.010224 137.3
[M+NH4]+ 206.051323 154.6
[M+K]+ 226.980658 140.0
[M+H-H2O]+ 171.014760 129.6
[M+HCOO]- 233.015701 149.1
[M+CH3COO]- 247.031351 181.9
[M+Na-2H]- 208.992166 138.1
[M]+ 188.01695142 137.3
[M]- 188.01804858 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.