CID 138987598

2692727-35-6

Structural Information

Molecular Formula
C16H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2[C@H]3[C@@H]2CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-8-10-11(9-18)12(10)17-21-15(4,5)16(6,7)22-17/h10-12H,8-9H2,1-7H3/t10-,11+,12?
InChIKey
BQYVNLKMKFRPJH-FOSCPWQOSA-N
Compound name
tert-butyl (1S,5R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21843 170.0
[M+Na]+ 332.20037 179.6
[M-H]- 308.20387 178.3
[M+NH4]+ 327.24497 185.4
[M+K]+ 348.17431 180.1
[M+H-H2O]+ 292.20841 168.1
[M+HCOO]- 354.20935 182.9
[M+CH3COO]- 368.22500 207.8
[M+Na-2H]- 330.18582 172.2
[M]+ 309.21060 177.9
[M]- 309.21170 177.9
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