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

5
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

No literature data available for this compound.

Patent stripe

patents stripe