CID 11275591

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile

Structural Information

Molecular Formula
C10H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(C)CC#N
InChI
InChI=1S/C10H18BNO2/c1-8(6-7-12)11-13-9(2,3)10(4,5)14-11/h8H,6H2,1-5H3
InChIKey
NIIMCRPOOZCJDD-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.15035 136.4
[M+Na]+ 218.13229 146.1
[M+NH4]+ 213.17689 143.1
[M+K]+ 234.10623 137.6
[M-H]- 194.13579 132.1
[M+Na-2H]- 216.11774 139.6
[M]+ 195.14252 136.0
[M]- 195.14362 136.0
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.