CID 170785026

Tert-butyl 2-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene)-7-azaspiro(3.5)nonane-7-carboxylate

Structural Information

Molecular Formula
C20H34BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H34BNO4/c1-17(2,3)24-16(23)22-10-8-20(9-11-22)12-15(13-20)14-21-25-18(4,5)19(6,7)26-21/h14H,8-13H2,1-7H3
InChIKey
JHOOCGOEIRHYJZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.26538 186.7
[M+Na]+ 386.24732 189.7
[M+NH4]+ 381.29192 192.2
[M+K]+ 402.22126 184.7
[M-H]- 362.25082 187.1
[M+Na-2H]- 384.23277 188.6
[M]+ 363.25755 186.4
[M]- 363.25865 186.4
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

No patent data available for this compound.