CID 168436929

Rac-(1r,5s)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C11H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@]23C[C@@H]2CNC3
InChI
InChI=1S/C11H20BNO2/c1-9(2)10(3,4)15-12(14-9)11-5-8(11)6-13-7-11/h8,13H,5-7H2,1-4H3/t8-,11-/m1/s1
InChIKey
BNHTVZDYGAHNOZ-LDYMZIIASA-N
Compound name
(1R,5S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16598 143.6
[M+Na]+ 232.14792 153.9
[M-H]- 208.15142 150.7
[M+NH4]+ 227.19252 163.4
[M+K]+ 248.12186 154.4
[M+H-H2O]+ 192.15596 141.0
[M+HCOO]- 254.15690 158.5
[M+CH3COO]- 268.17255 156.8
[M+Na-2H]- 230.13337 149.3
[M]+ 209.15815 146.9
[M]- 209.15925 146.9
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

No patent data available for this compound.