CID 498716

Dtxsid40894864

Structural Information

Molecular Formula
CH3BN
SMILES
[BH3-]C#N
InChI
InChI=1S/CH3BN/c2-1-3/h2H3/q-1
InChIKey
IUDSCMPRPHGDII-UHFFFAOYSA-N
Compound name
cyanoboranuide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

114
References

14395
Patents

40.035854 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 41.043130 102.1
[M+Na]+ 63.025072 112.4
[M-H]- 39.028578 102.1
[M+NH4]+ 58.069677 124.8
[M+K]+ 78.999012 113.0
[M+H-H2O]+ 23.033114 94.3
[M+HCOO]- 85.034055 123.2
[M+CH3COO]- 99.049705 168.7
[M+Na-2H]- 61.010520 110.2
[M]+ 40.035305 95.1
[M]- 40.036403 95.1
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

No patent data available for this compound.