CID 62470906

2-{[(2-chloropyridin-4-yl)methyl]sulfanyl}ethan-1-amine

Structural Information

Molecular Formula
C8H11ClN2S
SMILES
C1=CN=C(C=C1CSCCN)Cl
InChI
InChI=1S/C8H11ClN2S/c9-8-5-7(1-3-11-8)6-12-4-2-10/h1,3,5H,2,4,6,10H2
InChIKey
JPGXERNMCOEMQJ-UHFFFAOYSA-N
Compound name
2-[(2-chloropyridin-4-yl)methylsulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.03314 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04042 139.1
[M+Na]+ 225.02236 147.9
[M-H]- 201.02586 141.0
[M+NH4]+ 220.06696 158.1
[M+K]+ 240.99630 142.8
[M+H-H2O]+ 185.03040 133.4
[M+HCOO]- 247.03134 153.1
[M+CH3COO]- 261.04699 183.8
[M+Na-2H]- 223.00781 142.6
[M]+ 202.03259 141.6
[M]- 202.03369 141.6
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.