CID 15284066

170876-69-4

Structural Information

Molecular Formula
C9H16BrNO3
SMILES
C[C@@H](C(=O)CBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H16BrNO3/c1-6(7(12)5-10)11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1
InChIKey
KJXIUKCWXXPPLD-LURJTMIESA-N
Compound name
tert-butyl N-[(2S)-4-bromo-3-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03137 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03865 151.0
[M+Na]+ 288.02059 149.4
[M+NH4]+ 283.06519 153.1
[M+K]+ 303.99453 152.7
[M-H]- 264.02409 147.4
[M+Na-2H]- 286.00604 149.6
[M]+ 265.03082 148.1
[M]- 265.03192 148.1
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.