CID 53216335

1217501-38-6

Structural Information

Molecular Formula
C7H10BNO2S
SMILES
B(C1=CN=C(C=C1)SCC)(O)O
InChI
InChI=1S/C7H10BNO2S/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChIKey
HWWOZVPKBACUKO-UHFFFAOYSA-N
Compound name
(6-ethylsulfanylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

183.05254 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05982 135.4
[M+Na]+ 206.04176 143.2
[M-H]- 182.04526 135.4
[M+NH4]+ 201.08636 153.4
[M+K]+ 222.01570 140.1
[M+H-H2O]+ 166.04980 129.6
[M+HCOO]- 228.05074 150.3
[M+CH3COO]- 242.06639 174.9
[M+Na-2H]- 204.02721 138.3
[M]+ 183.05199 136.5
[M]- 183.05309 136.5
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