CID 18641981

(2s)-3-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

Structural Information

Molecular Formula
C11H17BrN2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1CC(=NO1)Br)C(=O)O
InChI
InChI=1S/C11H17BrN2O5/c1-11(2,3)18-10(17)13-7(9(15)16)4-6-5-8(12)14-19-6/h6-7H,4-5H2,1-3H3,(H,13,17)(H,15,16)/t6?,7-/m0/s1
InChIKey
FAWYTSTYZAEHPI-MLWJPKLSSA-N
Compound name
(2S)-3-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.03207 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.03935 170.1
[M+Na]+ 359.02129 177.9
[M-H]- 335.02479 173.9
[M+NH4]+ 354.06589 185.4
[M+K]+ 374.99523 169.6
[M+H-H2O]+ 319.02933 168.8
[M+HCOO]- 381.03027 185.1
[M+CH3COO]- 395.04592 202.8
[M+Na-2H]- 357.00674 172.6
[M]+ 336.03152 190.0
[M]- 336.03262 190.0
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