CID 57850090

Tert-butyl 2-(2-bromoethyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C11H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CCBr
InChI
InChI=1S/C11H20BrNO3/c1-11(2,3)16-10(14)13-6-7-15-9(8-13)4-5-12/h9H,4-8H2,1-3H3
InChIKey
GAQFXOIDFLTGPV-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-bromoethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

293.06265 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06993 162.1
[M+Na]+ 316.05187 170.3
[M-H]- 292.05537 166.7
[M+NH4]+ 311.09647 178.9
[M+K]+ 332.02581 161.9
[M+H-H2O]+ 276.05991 161.6
[M+HCOO]- 338.06085 175.7
[M+CH3COO]- 352.07650 196.2
[M+Na-2H]- 314.03732 167.0
[M]+ 293.06210 180.8
[M]- 293.06320 180.8
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

patents stripe