CID 90420375

1628502-01-1

Structural Information

Molecular Formula
C21H36BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H36BNO4/c1-18(2,3)25-17(24)23-14-12-21(13-15-23)10-8-16(9-11-21)22-26-19(4,5)20(6,7)27-22/h8H,9-15H2,1-7H3
InChIKey
ZMSGRBDTTJUVSM-UHFFFAOYSA-N
Compound name
tert-butyl 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azaspiro[5.5]undec-9-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

377.27374 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.28102 187.5
[M+Na]+ 400.26296 195.5
[M+NH4]+ 395.30756 197.7
[M+K]+ 416.23690 188.3
[M-H]- 376.26646 191.9
[M+Na-2H]- 398.24841 193.3
[M]+ 377.27319 190.3
[M]- 377.27429 190.3
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