CID 642851

Diethyl(3-pyridyl)borane

Structural Information

Molecular Formula
C9H14BN
SMILES
B(CC)(CC)C1=CN=CC=C1
InChI
InChI=1S/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
InChIKey
OJKBCQOJVMAHDX-UHFFFAOYSA-N
Compound name
diethyl(pyridin-3-yl)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1508
Patents

147.12193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.12921 131.2
[M+Na]+ 170.11115 138.1
[M-H]- 146.11465 133.2
[M+NH4]+ 165.15575 151.3
[M+K]+ 186.08509 136.5
[M+H-H2O]+ 130.11919 124.7
[M+HCOO]- 192.12013 153.3
[M+CH3COO]- 206.13578 177.4
[M+Na-2H]- 168.09660 138.1
[M]+ 147.12138 131.3
[M]- 147.12248 131.3
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