CID 53486302

2-(methylsulfanyl)pyridin-4-amine hydrochloride

Structural Information

Molecular Formula
C6H8N2S
SMILES
CSC1=NC=CC(=C1)N
InChI
InChI=1S/C6H8N2S/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8)
InChIKey
MZSQIZRESVBKIM-UHFFFAOYSA-N
Compound name
2-methylsulfanylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

140.04082 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 124.6
[M+Na]+ 163.030038 133.8
[M-H]- 139.033544 127.1
[M+NH4]+ 158.074643 145.3
[M+K]+ 179.003978 130.9
[M+H-H2O]+ 123.038080 118.6
[M+HCOO]- 185.039021 143.9
[M+CH3COO]- 199.054671 174.0
[M+Na-2H]- 161.015486 129.6
[M]+ 140.04027142 124.7
[M]- 140.04136858 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

No literature data available for this compound.

Patent stripe

patents stripe