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]+ 226.022576 143.7
[M+Na]+ 248.004518 156.8
[M-H]- 224.008024 152.4
[M+NH4]+ 243.049123 160.1
[M+K]+ 263.978458 145.2
[M+H-H2O]+ 208.012560 142.6
[M+HCOO]- 270.013501 165.0
[M+CH3COO]- 284.029151 190.0
[M+Na-2H]- 245.989966 151.9
[M]+ 225.01475142 163.6
[M]- 225.01584858 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.