CID 58169135

1310543-63-5

Structural Information

Molecular Formula
C13H21BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C(C)(C)O
InChI
InChI=1S/C13H21BO3S/c1-11(2,15)9-7-8-10(18-9)14-16-12(3,4)13(5,6)17-14/h7-8,15H,1-6H3
InChIKey
PVAOEZZSOCRZLF-UHFFFAOYSA-N
Compound name
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

268.13043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13771 154.9
[M+Na]+ 291.11965 164.3
[M-H]- 267.12315 162.6
[M+NH4]+ 286.16425 177.1
[M+K]+ 307.09359 164.4
[M+H-H2O]+ 251.12769 153.7
[M+HCOO]- 313.12863 169.2
[M+CH3COO]- 327.14428 192.9
[M+Na-2H]- 289.10510 158.0
[M]+ 268.12988 160.6
[M]- 268.13098 160.6
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