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

37
Patents

155.04048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 128.8
[M+Na]+ 178.029698 137.0
[M-H]- 154.033204 130.0
[M+NH4]+ 173.074303 148.5
[M+K]+ 194.003638 134.0
[M+H-H2O]+ 138.037740 122.9
[M+HCOO]- 200.038681 146.3
[M+CH3COO]- 214.054331 171.2
[M+Na-2H]- 176.015146 134.2
[M]+ 155.03993142 130.2
[M]- 155.04102858 130.2
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