CID 146050033

1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C12H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC2CCNC3
InChI
InChI=1S/C12H22BNO2/c1-10(2)11(3,4)16-13(15-10)12-7-9(12)5-6-14-8-12/h9,14H,5-8H2,1-4H3
InChIKey
OTOHJSZLZNMDBT-UHFFFAOYSA-N
Compound name
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.18164 150.5
[M+Na]+ 246.16358 159.6
[M-H]- 222.16708 157.2
[M+NH4]+ 241.20818 168.0
[M+K]+ 262.13752 160.6
[M+H-H2O]+ 206.17162 146.4
[M+HCOO]- 268.17256 163.2
[M+CH3COO]- 282.18821 162.6
[M+Na-2H]- 244.14903 156.8
[M]+ 223.17381 152.1
[M]- 223.17491 152.1
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.