CID 91647495

3-(2-bromoethyl)-1-methylazetidine hydrobromide

Structural Information

Molecular Formula
C6H12BrN
SMILES
CN1CC(C1)CCBr
InChI
InChI=1S/C6H12BrN/c1-8-4-6(5-8)2-3-7/h6H,2-5H2,1H3
InChIKey
YQERWHDQHWNYBH-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.0153 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02258 122.4
[M+Na]+ 200.00452 132.6
[M-H]- 176.00802 127.4
[M+NH4]+ 195.04912 139.3
[M+K]+ 215.97846 125.9
[M+H-H2O]+ 160.01256 118.4
[M+HCOO]- 222.01350 141.4
[M+CH3COO]- 236.02915 183.1
[M+Na-2H]- 197.98997 130.5
[M]+ 177.01475 147.9
[M]- 177.01585 147.9
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.