CID 91498694

2095495-27-3

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCN(CC2C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-14(2,3)21-13(20)19-9-8-17(10-12(17)11-19)18-22-15(4,5)16(6,7)23-18/h12H,8-11H2,1-7H3
InChIKey
GBFVHJWDNSZUNB-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 174.9
[M+Na]+ 346.21600 183.3
[M-H]- 322.21950 182.6
[M+NH4]+ 341.26060 189.5
[M+K]+ 362.18994 185.5
[M+H-H2O]+ 306.22404 171.9
[M+HCOO]- 368.22498 185.3
[M+CH3COO]- 382.24063 209.5
[M+Na-2H]- 344.20145 179.4
[M]+ 323.22623 181.3
[M]- 323.22733 181.3
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