CID 97181958

En300-27721682

Structural Information

Molecular Formula
C6H8BrNO
SMILES
C1C[C@H]2[C@@H](C1)ON=C2Br
InChI
InChI=1S/C6H8BrNO/c7-6-4-2-1-3-5(4)9-8-6/h4-5H,1-3H2/t4-,5+/m0/s1
InChIKey
KPSVYJYNGKFKQE-CRCLSJGQSA-N
Compound name
(3aS,6aR)-3-bromo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98621 139.6
[M+Na]+ 211.96815 140.9
[M+NH4]+ 207.01275 145.2
[M+K]+ 227.94209 144.2
[M-H]- 187.97165 140.2
[M+Na-2H]- 209.95360 139.7
[M]+ 188.97838 138.6
[M]- 188.97948 138.6
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

No patent data available for this compound.