CID 71305586

Tert-butyl 7-bromo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C11H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)Br
InChI
InChI=1S/C11H18BrNO3/c1-10(2,3)16-9(14)13-6-11(7-13)4-8(12)5-15-11/h8H,4-7H2,1-3H3
InChIKey
BFMNMRHGKNUVSC-UHFFFAOYSA-N
Compound name
tert-butyl 7-bromo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

291.047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05428 161.9
[M+Na]+ 314.03622 157.6
[M+NH4]+ 309.08082 162.9
[M+K]+ 330.01016 161.4
[M-H]- 290.03972 158.8
[M+Na-2H]- 312.02167 159.9
[M]+ 291.04645 158.2
[M]- 291.04755 158.2
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