CID 155821838

3-(2-bromoethyl)-3-(but-3-yn-1-yl)-3h-diazirine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C#CCCC1(N=N1)CCBr
InChI
InChI=1S/C7H9BrN2/c1-2-3-4-7(5-6-8)9-10-7/h1H,3-6H2
InChIKey
QZBVOMJKDDMRPB-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-3-but-3-ynyldiazirine
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

199.9949 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 131.4
[M+Na]+ 222.98412 136.4
[M+NH4]+ 218.02872 134.7
[M+K]+ 238.95806 133.2
[M-H]- 198.98762 129.6
[M+Na-2H]- 220.96957 135.8
[M]+ 199.99435 130.9
[M]- 199.99545 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.