CID 2774933

77555-27-2

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1=CC=NC(=C1)SCCO
InChI
InChI=1S/C7H9NOS/c9-5-6-10-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKey
VKXCZEICJYQFIT-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

155.04048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 129.8
[M+Na]+ 178.02970 142.3
[M+NH4]+ 173.07430 138.9
[M+K]+ 194.00364 133.7
[M-H]- 154.03320 131.6
[M+Na-2H]- 176.01515 136.6
[M]+ 155.03993 132.5
[M]- 155.04103 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe