CID 68607487

[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanamine

Structural Information

Molecular Formula
C11H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)CN
InChI
InChI=1S/C11H18BNO2S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-6H,7,13H2,1-4H3
InChIKey
VLUVVVWTGJCKHN-UHFFFAOYSA-N
Compound name
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12241 147.9
[M+Na]+ 262.10435 157.5
[M-H]- 238.10785 156.4
[M+NH4]+ 257.14895 171.2
[M+K]+ 278.07829 157.2
[M+H-H2O]+ 222.11239 145.3
[M+HCOO]- 284.11333 165.8
[M+CH3COO]- 298.12898 191.2
[M+Na-2H]- 260.08980 150.2
[M]+ 239.11458 151.8
[M]- 239.11568 151.8
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.