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 153.8
[M+Na]+ 288.02059 162.6
[M-H]- 264.02409 156.6
[M+NH4]+ 283.06519 173.7
[M+K]+ 303.99453 153.2
[M+H-H2O]+ 248.02863 153.4
[M+HCOO]- 310.02957 171.7
[M+CH3COO]- 324.04522 195.7
[M+Na-2H]- 286.00604 157.5
[M]+ 265.03082 173.6
[M]- 265.03192 173.6
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.