CID 86276595

Tert-butyl 3-bromo-2-oxoazepane-1-carboxylate

Structural Information

Molecular Formula
C11H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CCCCC(C1=O)Br
InChI
InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3
InChIKey
DMCYBVCCGFTNNH-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-2-oxoazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.047 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05428 150.5
[M+Na]+ 314.03622 158.0
[M-H]- 290.03972 155.9
[M+NH4]+ 309.08082 167.6
[M+K]+ 330.01016 153.1
[M+H-H2O]+ 274.04426 150.3
[M+HCOO]- 336.04520 164.8
[M+CH3COO]- 350.06085 197.6
[M+Na-2H]- 312.02167 154.4
[M]+ 291.04645 164.4
[M]- 291.04755 164.4
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.