CID 86335561

2624109-09-5

Structural Information

Molecular Formula
C6H8BrNO
SMILES
C1C[C@H]([C@@H](OC1)C#N)Br
InChI
InChI=1S/C6H8BrNO/c7-5-2-1-3-9-6(5)4-8/h5-6H,1-3H2/t5-,6+/m1/s1
InChIKey
NXFVONYWTJVWRZ-RITPCOANSA-N
Compound name
(2S,3R)-3-bromooxane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.986206 125.8
[M+Na]+ 211.968148 138.0
[M-H]- 187.971654 130.7
[M+NH4]+ 207.012753 145.6
[M+K]+ 227.942088 128.6
[M+H-H2O]+ 171.976190 119.8
[M+HCOO]- 233.977131 143.3
[M+CH3COO]- 247.992781 190.7
[M+Na-2H]- 209.953596 134.0
[M]+ 188.97838142 135.4
[M]- 188.97947858 135.4
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.