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

177
Patents

207.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.150346 139.3
[M+Na]+ 230.132288 149.4
[M-H]- 206.135794 147.0
[M+NH4]+ 225.176893 162.5
[M+K]+ 246.106228 150.2
[M+H-H2O]+ 190.140330 135.6
[M+HCOO]- 252.141271 160.5
[M+CH3COO]- 266.156921 185.9
[M+Na-2H]- 228.117736 144.3
[M]+ 207.14252142 142.9
[M]- 207.14361858 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