CID 6338343

Bdbm235669

Structural Information

Molecular Formula
CBN
SMILES
[B-]C#N
InChI
InChI=1S/CBN/c2-1-3/q-1
InChIKey
ZPAQOEQIFZUYRH-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

114
References

6076
Patents

37.01238 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 38.019656 101.5
[M+Na]+ 60.001598 111.8
[M-H]- 36.005104 101.6
[M+NH4]+ 55.046203 124.3
[M+K]+ 75.975538 112.4
[M+H-H2O]+ 20.009640 93.8
[M+HCOO]- 82.010581 122.6
[M+CH3COO]- 96.026231 168.6
[M+Na-2H]- 57.987046 109.7
[M]+ 37.011831 94.6
[M]- 37.012929 94.6
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