CID 69388802

919286-71-8

Structural Information

Molecular Formula
C10H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](C1)CBr
InChI
InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey
RLXCSEPIBOWMOJ-MRVPVSSYSA-N
Compound name
tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

302
Patents

279.047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05428 157.4
[M+Na]+ 302.03622 166.1
[M-H]- 278.03972 162.2
[M+NH4]+ 297.08082 174.8
[M+K]+ 318.01016 157.9
[M+H-H2O]+ 262.04426 157.1
[M+HCOO]- 324.04520 171.4
[M+CH3COO]- 338.06085 193.4
[M+Na-2H]- 300.02167 162.9
[M]+ 279.04645 175.8
[M]- 279.04755 175.8
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.