CID 44557753

1198605-54-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.15035 140.7
[M+Na]+ 230.13229 150.4
[M-H]- 206.13579 146.9
[M+NH4]+ 225.17689 163.1
[M+K]+ 246.10623 150.2
[M+H-H2O]+ 190.14033 137.2
[M+HCOO]- 252.14127 160.3
[M+CH3COO]- 266.15692 183.4
[M+Na-2H]- 228.11774 145.1
[M]+ 207.14252 142.5
[M]- 207.14362 142.5
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

No patent data available for this compound.