CID 165990831

[4-(methoxymethyl)thiophen-2-yl]boronic acid

Structural Information

Molecular Formula
C6H9BO3S
SMILES
B(C1=CC(=CS1)COC)(O)O
InChI
InChI=1S/C6H9BO3S/c1-10-3-5-2-6(7(8)9)11-4-5/h2,4,8-9H,3H2,1H3
InChIKey
YAZXAZUNHYDNHP-UHFFFAOYSA-N
Compound name
[4-(methoxymethyl)thiophen-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03654 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04382 133.6
[M+Na]+ 195.02576 141.7
[M-H]- 171.02926 135.1
[M+NH4]+ 190.07036 155.1
[M+K]+ 210.99970 139.8
[M+H-H2O]+ 155.03380 129.0
[M+HCOO]- 217.03474 150.9
[M+CH3COO]- 231.05039 171.4
[M+Na-2H]- 193.01121 134.7
[M]+ 172.03599 136.0
[M]- 172.03709 136.0
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

No patent data available for this compound.