CID 84819371

1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1h-pyrrol-1-yl]ethan-1-one

Structural Information

Molecular Formula
C12H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(C2)C(=O)C
InChI
InChI=1S/C12H20BNO3/c1-9(15)14-7-6-10(8-14)13-16-11(2,3)12(4,5)17-13/h6H,7-8H2,1-5H3
InChIKey
JATQPFNMRKHPEX-UHFFFAOYSA-N
Compound name
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16091 148.2
[M+Na]+ 260.14285 156.9
[M-H]- 236.14635 155.5
[M+NH4]+ 255.18745 170.0
[M+K]+ 276.11679 158.0
[M+H-H2O]+ 220.15089 144.8
[M+HCOO]- 282.15183 167.0
[M+CH3COO]- 296.16748 190.8
[M+Na-2H]- 258.12830 150.8
[M]+ 237.15308 150.9
[M]- 237.15418 150.9
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