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

13
Patents

291.047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.054276 151.0
[M+Na]+ 314.036218 159.6
[M-H]- 290.039724 158.3
[M+NH4]+ 309.080823 165.9
[M+K]+ 330.010158 154.6
[M+H-H2O]+ 274.044260 148.3
[M+HCOO]- 336.045201 165.3
[M+CH3COO]- 350.060851 197.0
[M+Na-2H]- 312.021666 156.8
[M]+ 291.04645142 177.6
[M]- 291.04754858 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