CID 122164296

2-[5-(methoxymethyl)thiophen-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H19BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=C2)COC
InChI
InChI=1S/C12H19BO3S/c1-11(2)12(3,4)16-13(15-11)9-6-10(7-14-5)17-8-9/h6,8H,7H2,1-5H3
InChIKey
OYPAUYMYVLQUBY-UHFFFAOYSA-N
Compound name
2-[5-(methoxymethyl)thiophen-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.11479 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12207 153.7
[M+Na]+ 277.10401 164.0
[M+NH4]+ 272.14861 165.0
[M+K]+ 293.07795 157.3
[M-H]- 253.10751 158.9
[M+Na-2H]- 275.08946 159.9
[M]+ 254.11424 157.5
[M]- 254.11534 157.5
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