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 134.6
[M+Na]+ 218.13229 145.4
[M-H]- 194.13579 139.5
[M+NH4]+ 213.17689 155.6
[M+K]+ 234.10623 144.8
[M+H-H2O]+ 178.14033 125.0
[M+HCOO]- 240.14127 151.2
[M+CH3COO]- 254.15692 197.2
[M+Na-2H]- 216.11774 140.5
[M]+ 195.14252 133.0
[M]- 195.14362 133.0
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.