CID 46221221

3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide

Structural Information

Molecular Formula
C9H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC(=O)N
InChI
InChI=1S/C9H18BNO3/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5-6H2,1-4H3,(H2,11,12)
InChIKey
GWMLHEDQHMDLRY-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14525 140.5
[M+Na]+ 222.12719 148.3
[M-H]- 198.13069 145.2
[M+NH4]+ 217.17179 162.7
[M+K]+ 238.10113 149.9
[M+H-H2O]+ 182.13523 137.6
[M+HCOO]- 244.13617 160.9
[M+CH3COO]- 258.15182 186.7
[M+Na-2H]- 220.11264 145.9
[M]+ 199.13742 142.6
[M]- 199.13852 142.6
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