CID 133636305

2223040-19-3

Structural Information

Molecular Formula
C12H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(N2)C(=O)C
InChI
InChI=1S/C12H18BNO3/c1-8(15)9-6-7-10(14-9)13-16-11(2,3)12(4,5)17-13/h6-7,14H,1-5H3
InChIKey
WDGOLHANVAEMRD-UHFFFAOYSA-N
Compound name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 149.6
[M+Na]+ 258.12719 159.5
[M+NH4]+ 253.17179 159.1
[M+K]+ 274.10113 156.1
[M-H]- 234.13069 152.9
[M+Na-2H]- 256.11264 155.0
[M]+ 235.13742 152.1
[M]- 235.13852 152.1
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

No patent data available for this compound.