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
Annotation Hits

0
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]+ 201.002176 132.9
[M+Na]+ 222.984118 152.3
[M-H]- 198.987624 136.9
[M+NH4]+ 218.028723 150.2
[M+K]+ 238.958058 138.5
[M+H-H2O]+ 182.992160 128.6
[M+HCOO]- 244.993101 151.8
[M+CH3COO]- 259.008751 193.1
[M+Na-2H]- 220.969566 143.2
[M]+ 199.99435142 149.7
[M]- 199.99544858 149.7
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.