CID 145913120

2-(bromomethyl)-1-cyclobutylaziridine

Structural Information

Molecular Formula
C7H12BrN
SMILES
C1CC(C1)N2CC2CBr
InChI
InChI=1S/C7H12BrN/c8-4-7-5-9(7)6-2-1-3-6/h6-7H,1-5H2
InChIKey
RGVCFXGKQQUCPJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-cyclobutylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0153 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02258 127.3
[M+Na]+ 212.00452 139.1
[M-H]- 188.00802 135.9
[M+NH4]+ 207.04912 139.5
[M+K]+ 227.97846 131.5
[M+H-H2O]+ 172.01256 122.4
[M+HCOO]- 234.01350 146.6
[M+CH3COO]- 248.02915 187.6
[M+Na-2H]- 209.98997 135.2
[M]+ 189.01475 153.1
[M]- 189.01585 153.1
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.