CID 72220554

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrole

Structural Information

Molecular Formula
C11H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(N2)C
InChI
InChI=1S/C11H18BNO2/c1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12/h6-7,13H,1-5H3
InChIKey
IYNNUEWXANPBAT-UHFFFAOYSA-N
Compound name
2-methyl-5-(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

6
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

literature stripe

Patent stripe

patents stripe