CID 155820439

2567488-99-5

Structural Information

Molecular Formula
C10H18BrNO3
SMILES
CC[C@H](C(=O)CBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H18BrNO3/c1-5-7(8(13)6-11)12-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)/t7-/m1/s1
InChIKey
UWIOYJAFUGYQHO-SSDOTTSWSA-N
Compound name
tert-butyl N-[(3R)-1-bromo-2-oxopentan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.047 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05428 158.5
[M+Na]+ 302.03622 166.9
[M-H]- 278.03972 161.1
[M+NH4]+ 297.08082 177.8
[M+K]+ 318.01016 157.3
[M+H-H2O]+ 262.04426 157.9
[M+HCOO]- 324.04520 176.0
[M+CH3COO]- 338.06085 198.5
[M+Na-2H]- 300.02167 161.6
[M]+ 279.04645 178.6
[M]- 279.04755 178.6
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.