CID 10976324

2-(bromomethyl)-1-(2-methylpropyl)aziridine

Structural Information

Molecular Formula
C7H14BrN
SMILES
CC(C)CN1CC1CBr
InChI
InChI=1S/C7H14BrN/c1-6(2)4-9-5-7(9)3-8/h6-7H,3-5H2,1-2H3
InChIKey
JMBBTMPWVWSGOY-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-(2-methylpropyl)aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03096 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.038236 138.7
[M+Na]+ 214.020178 151.7
[M-H]- 190.023684 144.8
[M+NH4]+ 209.064783 156.6
[M+K]+ 229.994118 140.8
[M+H-H2O]+ 174.028220 137.9
[M+HCOO]- 236.029161 158.3
[M+CH3COO]- 250.044811 187.0
[M+Na-2H]- 212.005626 144.9
[M]+ 191.03041142 159.2
[M]- 191.03150858 159.2
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.