CID 135396669

2095495-19-3

Structural Information

Molecular Formula
C16H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC2CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BNO4/c1-13(2,3)20-12(19)18-9-11-8-16(11,10-18)17-21-14(4,5)15(6,7)22-17/h11H,8-10H2,1-7H3
InChIKey
XJMLPJYQVGTEDM-UHFFFAOYSA-N
Compound name
tert-butyl 1-(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

18
Patents

309.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21843 168.2
[M+Na]+ 332.20037 177.8
[M-H]- 308.20387 176.4
[M+NH4]+ 327.24497 185.2
[M+K]+ 348.17431 179.3
[M+H-H2O]+ 292.20841 167.0
[M+HCOO]- 354.20935 180.8
[M+CH3COO]- 368.22500 206.4
[M+Na-2H]- 330.18582 172.4
[M]+ 309.21060 176.4
[M]- 309.21170 176.4
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

patents stripe