CID 53217148

953040-54-5

Structural Information

Molecular Formula
C11H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C=C2)C
InChI
InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-7-13(5)8-9/h6-8H,1-5H3
InChIKey
SYAMJGBBLFTQTK-UHFFFAOYSA-N
Compound name
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

207.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.15035 139.3
[M+Na]+ 230.13229 149.4
[M-H]- 206.13579 147.0
[M+NH4]+ 225.17689 162.5
[M+K]+ 246.10623 150.2
[M+H-H2O]+ 190.14033 135.6
[M+HCOO]- 252.14127 160.5
[M+CH3COO]- 266.15692 185.9
[M+Na-2H]- 228.11774 144.3
[M]+ 207.14252 142.9
[M]- 207.14362 142.9
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