CID 11450924

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[tris(1-methylethyl)silyl]-1h-pyrrole

Structural Information

Molecular Formula
C19H36BNO2Si
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C=C2)[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C19H36BNO2Si/c1-14(2)24(15(3)4,16(5)6)21-12-11-17(13-21)20-22-18(7,8)19(9,10)23-20/h11-16H,1-10H3
InChIKey
GWFIZBYDIHGZRJ-UHFFFAOYSA-N
Compound name
tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

349.26083 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.26811 179.8
[M+Na]+ 372.25005 185.6
[M-H]- 348.25355 186.4
[M+NH4]+ 367.29465 197.8
[M+K]+ 388.22399 186.4
[M+H-H2O]+ 332.25809 176.4
[M+HCOO]- 394.25903 193.4
[M+CH3COO]- 408.27468 215.8
[M+Na-2H]- 370.23550 178.1
[M]+ 349.26028 184.3
[M]- 349.26138 184.3
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