CID 165950945

Methyl (2r)-2-amino-3-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)propanoate hydrobromide

Structural Information

Molecular Formula
C7H11BrN2O3
SMILES
COC(=O)[C@@H](CC1CC(=NO1)Br)N
InChI
InChI=1S/C7H11BrN2O3/c1-12-7(11)5(9)2-4-3-6(8)10-13-4/h4-5H,2-3,9H2,1H3/t4?,5-/m1/s1
InChIKey
NGJGOSIFAVXCEB-BRJRFNKRSA-N
Compound name
methyl (2R)-2-amino-3-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9953 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00258 148.6
[M+Na]+ 272.98452 158.5
[M-H]- 248.98802 153.5
[M+NH4]+ 268.02912 167.8
[M+K]+ 288.95846 150.0
[M+H-H2O]+ 232.99256 147.2
[M+HCOO]- 294.99350 167.5
[M+CH3COO]- 309.00915 190.0
[M+Na-2H]- 270.96997 152.4
[M]+ 249.99475 167.2
[M]- 249.99585 167.2
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.