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]+ 282.033556 156.7
[M+Na]+ 304.015498 164.6
[M-H]- 280.019004 158.1
[M+NH4]+ 299.060103 175.0
[M+K]+ 319.989438 155.4
[M+H-H2O]+ 264.023540 156.2
[M+HCOO]- 326.024481 172.4
[M+CH3COO]- 340.040131 196.1
[M+Na-2H]- 302.000946 158.8
[M]+ 281.02573142 175.3
[M]- 281.02682858 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.