CID 218786

41287-46-1

Structural Information

Molecular Formula
C9H13BrN2OS
SMILES
C1=CC(=NC=C1Br)OCCNCCS
InChI
InChI=1S/C9H13BrN2OS/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-14/h1-2,7,11,14H,3-6H2
InChIKey
PZDLPIONTLKMFS-UHFFFAOYSA-N
Compound name
2-[2-(5-bromopyridin-2-yl)oxyethylamino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00048 142.8
[M+Na]+ 298.98242 145.3
[M+NH4]+ 294.02702 147.7
[M+K]+ 314.95636 143.4
[M-H]- 274.98592 143.7
[M+Na-2H]- 296.96787 146.5
[M]+ 275.99265 142.6
[M]- 275.99375 142.6
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.