CID 10683970

1-tert-butyloxycarbonyl-3-bromo-4-oxopiperidine

Structural Information

Molecular Formula
C10H16BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1)Br
InChI
InChI=1S/C10H16BrNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3
InChIKey
RGWGRRBHQUREDE-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

466
Patents

277.03137 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03865 154.2
[M+Na]+ 300.02059 164.0
[M-H]- 276.02409 158.8
[M+NH4]+ 295.06519 173.1
[M+K]+ 315.99453 154.4
[M+H-H2O]+ 260.02863 154.3
[M+HCOO]- 322.02957 169.2
[M+CH3COO]- 336.04522 193.7
[M+Na-2H]- 298.00604 158.4
[M]+ 277.03082 171.7
[M]- 277.03192 171.7
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

patents stripe