CID 46871349

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

Structural Information

Molecular Formula
C10H16BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC=C2
InChI
InChI=1S/C10H16BNO2/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7,12H,1-4H3
InChIKey
VLOXXHSBLUSPCW-UHFFFAOYSA-N
Compound name
3-(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

179
Patents

193.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13469 137.2
[M+Na]+ 216.11663 146.4
[M-H]- 192.12013 143.2
[M+NH4]+ 211.16123 159.9
[M+K]+ 232.09057 146.5
[M+H-H2O]+ 176.12467 133.4
[M+HCOO]- 238.12561 157.2
[M+CH3COO]- 252.14126 179.2
[M+Na-2H]- 214.10208 142.7
[M]+ 193.12686 138.2
[M]- 193.12796 138.2
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