CID 155859077

2580103-37-1

Structural Information

Molecular Formula
C9H16BrNO4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)Br
InChI
InChI=1S/C9H16BrNO4/c1-5(10)6(7(12)13)11-8(14)15-9(2,3)4/h5-6H,1-4H3,(H,11,14)(H,12,13)/t5-,6+/m1/s1
InChIKey
CWBBDUKUOZRIOC-RITPCOANSA-N
Compound name
(2R,3R)-3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.02628 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03356 156.7
[M+Na]+ 304.01550 164.6
[M-H]- 280.01900 158.1
[M+NH4]+ 299.06010 175.0
[M+K]+ 319.98944 155.4
[M+H-H2O]+ 264.02354 156.2
[M+HCOO]- 326.02448 172.4
[M+CH3COO]- 340.04013 196.1
[M+Na-2H]- 302.00095 158.8
[M]+ 281.02573 175.3
[M]- 281.02683 175.3
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

No patent data available for this compound.