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 151.0
[M+Na]+ 314.03622 159.6
[M-H]- 290.03972 158.3
[M+NH4]+ 309.08082 165.9
[M+K]+ 330.01016 154.6
[M+H-H2O]+ 274.04426 148.3
[M+HCOO]- 336.04520 165.3
[M+CH3COO]- 350.06085 197.0
[M+Na-2H]- 312.02167 156.8
[M]+ 291.04645 177.6
[M]- 291.04755 177.6
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

patents stripe