CID 6335435

1,2-azaboretidine

Structural Information

Molecular Formula
C2H5BN
SMILES
[B]1CCN1
InChI
InChI=1S/C2H5BN/c1-2-4-3-1/h4H,1-2H2
InChIKey
HMZSLHJELVKEEN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

54.051506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 55.058782 103.8
[M+Na]+ 77.040724 109.7
[M-H]- 53.044230 104.6
[M+NH4]+ 72.085329 120.2
[M+K]+ 93.014664 112.4
[M+H-H2O]+ 37.048766 94.1
[M+HCOO]- 99.049707 124.4
[M+CH3COO]- 113.06536 158.5
[M+Na-2H]- 75.026172 113.0
[M]+ 54.050957 108.2
[M]- 54.052055 108.2
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.