CID 123022

Pyridine-borane

Structural Information

Molecular Formula
C5H8BN
SMILES
[BH3-][N+]1=CC=CC=C1
InChI
InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3
InChIKey
LPGWNCNRGQANGC-UHFFFAOYSA-N
Compound name
pyridin-1-ium-1-ylboranuide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

17
Patents

93.07498 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.082256 113.4
[M+Na]+ 116.06420 121.7
[M-H]- 92.067704 114.6
[M+NH4]+ 111.10880 134.8
[M+K]+ 132.03814 115.5
[M+H-H2O]+ 76.072240 112.9
[M+HCOO]- 138.07318 136.9
[M+CH3COO]- 152.08883 155.2
[M+Na-2H]- 114.04965 124.6
[M]+ 93.074431 109.1
[M]- 93.075529 109.1
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