CID 162407372

1422558-39-1

Structural Information

Molecular Formula
C20H36BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H36BNO4/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/h15H,8-14H2,1-7H3
InChIKey
QHUVVHYPCJIHFW-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.27374 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.28102 182.2
[M+Na]+ 388.26296 185.4
[M-H]- 364.26646 189.7
[M+NH4]+ 383.30756 192.8
[M+K]+ 404.23690 189.2
[M+H-H2O]+ 348.27100 174.2
[M+HCOO]- 410.27194 191.6
[M+CH3COO]- 424.28759 217.1
[M+Na-2H]- 386.24841 183.8
[M]+ 365.27319 191.7
[M]- 365.27429 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.