CID 11183176

238088-16-9

Structural Information

Molecular Formula
C10H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCC#N
InChI
InChI=1S/C10H18BNO2/c1-9(2)10(3,4)14-11(13-9)7-5-6-8-12/h5-7H2,1-4H3
InChIKey
LVMSRWXPZLRTIC-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

195.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.15035 133.1
[M+Na]+ 218.13229 144.2
[M-H]- 194.13579 138.0
[M+NH4]+ 213.17689 154.2
[M+K]+ 234.10623 143.1
[M+H-H2O]+ 178.14033 123.4
[M+HCOO]- 240.14127 150.7
[M+CH3COO]- 254.15692 196.4
[M+Na-2H]- 216.11774 140.3
[M]+ 195.14252 132.1
[M]- 195.14362 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe