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]+ 292.054276 150.5
[M+Na]+ 314.036218 158.0
[M-H]- 290.039724 155.9
[M+NH4]+ 309.080823 167.6
[M+K]+ 330.010158 153.1
[M+H-H2O]+ 274.044260 150.3
[M+HCOO]- 336.045201 164.8
[M+CH3COO]- 350.060851 197.6
[M+Na-2H]- 312.021666 154.4
[M]+ 291.04645142 164.4
[M]- 291.04754858 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.