CID 501233

2-benzylsulfanylpyridin-3-ol

Structural Information

Molecular Formula
C12H11NOS
SMILES
C1=CC=C(C=C1)CSC2=C(C=CC=N2)O
InChI
InChI=1S/C12H11NOS/c14-11-7-4-8-13-12(11)15-9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKey
AWJZKOWFWWMQML-UHFFFAOYSA-N
Compound name
2-benzylsulfanylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 144.5
[M+Na]+ 240.04536 153.0
[M-H]- 216.04886 148.9
[M+NH4]+ 235.08996 161.6
[M+K]+ 256.01930 148.0
[M+H-H2O]+ 200.05340 137.3
[M+HCOO]- 262.05434 162.0
[M+CH3COO]- 276.06999 157.0
[M+Na-2H]- 238.03081 149.5
[M]+ 217.05559 145.6
[M]- 217.05669 145.6
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

patents stripe