CID 137964485

Tert-butyl 7,7-dibromo-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate

Structural Information

Molecular Formula
C10H15Br2NO3
SMILES
CC(C)(C)OC(=O)N1CCOC2C1C2(Br)Br
InChI
InChI=1S/C10H15Br2NO3/c1-9(2,3)16-8(14)13-4-5-15-7-6(13)10(7,11)12/h6-7H,4-5H2,1-3H3
InChIKey
SVVTTWVEAORBRF-UHFFFAOYSA-N
Compound name
tert-butyl 7,7-dibromo-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.94186 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.94914 163.4
[M+Na]+ 377.93108 175.2
[M-H]- 353.93458 170.7
[M+NH4]+ 372.97568 177.8
[M+K]+ 393.90502 161.6
[M+H-H2O]+ 337.93912 171.6
[M+HCOO]- 399.94006 173.1
[M+CH3COO]- 413.95571 211.8
[M+Na-2H]- 375.91653 170.0
[M]+ 354.94131 199.4
[M]- 354.94241 199.4
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.