CID 155822238

4-(2-bromoethyl)-2,2,3-trimethylmorpholine

Structural Information

Molecular Formula
C9H18BrNO
SMILES
CC1C(OCCN1CCBr)(C)C
InChI
InChI=1S/C9H18BrNO/c1-8-9(2,3)12-7-6-11(8)5-4-10/h8H,4-7H2,1-3H3
InChIKey
RYSQZFLEMBJKAF-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-2,2,3-trimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05717 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06445 144.6
[M+Na]+ 258.04639 155.0
[M-H]- 234.04989 149.9
[M+NH4]+ 253.09099 166.0
[M+K]+ 274.02033 146.3
[M+H-H2O]+ 218.05443 145.3
[M+HCOO]- 280.05537 160.8
[M+CH3COO]- 294.07102 189.0
[M+Na-2H]- 256.03184 151.7
[M]+ 235.05662 162.8
[M]- 235.05772 162.8
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.