CID 11390495

1-benzyl-2-(bromomethyl)aziridine

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1C(N1CC2=CC=CC=C2)CBr
InChI
InChI=1S/C10H12BrN/c11-6-10-8-12(10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
HDWSXVXUSOFXPM-UHFFFAOYSA-N
Compound name
1-benzyl-2-(bromomethyl)aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 143.7
[M+Na]+ 248.00452 156.8
[M-H]- 224.00802 152.4
[M+NH4]+ 243.04912 160.1
[M+K]+ 263.97846 145.2
[M+H-H2O]+ 208.01256 142.6
[M+HCOO]- 270.01350 165.0
[M+CH3COO]- 284.02915 190.0
[M+Na-2H]- 245.98997 151.9
[M]+ 225.01475 163.6
[M]- 225.01585 163.6
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.