CID 44118773

1-methyl-1h-pyrrole-2-boronic acid, pinacol ester

Structural Information

Molecular Formula
C11H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C
InChI
InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3
InChIKey
OEQQEXKRORJZPR-UHFFFAOYSA-N
Compound name
1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
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

literature stripe

Patent stripe

patents stripe