CID 86767392

3-(2-bromoethyl)-3-methyl-3h-diazirine

Structural Information

Molecular Formula
C4H7BrN2
SMILES
CC1(N=N1)CCBr
InChI
InChI=1S/C4H7BrN2/c1-4(2-3-5)6-7-4/h2-3H2,1H3
InChIKey
WFYMPPCLRKCDPF-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-3-methyldiazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.98654 129.1
[M+Na]+ 184.96848 144.2
[M-H]- 160.97198 134.5
[M+NH4]+ 180.01308 148.4
[M+K]+ 200.94242 134.2
[M+H-H2O]+ 144.97652 129.1
[M+HCOO]- 206.97746 150.5
[M+CH3COO]- 220.99311 178.9
[M+Na-2H]- 182.95393 140.3
[M]+ 161.97871 151.0
[M]- 161.97981 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.