CID 165944606

3-(3-bromopropyl)-3-methyl-3h-diazirine

Structural Information

Molecular Formula
C5H9BrN2
SMILES
CC1(N=N1)CCCBr
InChI
InChI=1S/C5H9BrN2/c1-5(7-8-5)3-2-4-6/h2-4H2,1H3
InChIKey
MODZUTXTWXBFDG-UHFFFAOYSA-N
Compound name
3-(3-bromopropyl)-3-methyldiazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00218 133.2
[M+Na]+ 198.98412 148.0
[M-H]- 174.98762 138.5
[M+NH4]+ 194.02872 152.1
[M+K]+ 214.95806 137.8
[M+H-H2O]+ 158.99216 133.1
[M+HCOO]- 220.99310 154.3
[M+CH3COO]- 235.00875 181.6
[M+Na-2H]- 196.96957 144.0
[M]+ 175.99435 155.5
[M]- 175.99545 155.5
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.