CID 122360048

2-(bromomethyl)-1-(cyclopropylmethyl)aziridine

Structural Information

Molecular Formula
C7H12BrN
SMILES
C1CC1CN2CC2CBr
InChI
InChI=1S/C7H12BrN/c8-3-7-5-9(7)4-6-1-2-6/h6-7H,1-5H2
InChIKey
APIRZHDGBPSPDT-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-(cyclopropylmethyl)aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02258 149.2
[M+Na]+ 212.00452 160.9
[M-H]- 188.00802 157.5
[M+NH4]+ 207.04912 160.5
[M+K]+ 227.97846 151.4
[M+H-H2O]+ 172.01256 147.7
[M+HCOO]- 234.01350 167.3
[M+CH3COO]- 248.02915 194.2
[M+Na-2H]- 209.98997 154.2
[M]+ 189.01475 167.6
[M]- 189.01585 167.6
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.