CID 14233465

117348-70-6

Structural Information

Molecular Formula
C13H20BrNO4
SMILES
CO[C@H]1CCCN([C@@H]1CC(=O)CBr)C(=O)OCC=C
InChI
InChI=1S/C13H20BrNO4/c1-3-7-19-13(17)15-6-4-5-12(18-2)11(15)8-10(16)9-14/h3,11-12H,1,4-9H2,2H3/t11-,12+/m1/s1
InChIKey
SAWQYKHJYLJONO-NEPJUHHUSA-N
Compound name
prop-2-enyl (2R,3S)-2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

333.05756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06484 167.8
[M+Na]+ 356.04678 167.2
[M+NH4]+ 351.09138 169.5
[M+K]+ 372.02072 168.6
[M-H]- 332.05028 165.3
[M+Na-2H]- 354.03223 166.2
[M]+ 333.05701 165.3
[M]- 333.05811 165.3
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