CID 155896535

2730903-90-7

Structural Information

Molecular Formula
C17H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3(C2)CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H28BNO4/c1-14(2,3)21-13(20)19-10-17(11-19)8-12(9-17)18-22-15(4,5)16(6,7)23-18/h8H,9-11H2,1-7H3
InChIKey
BBXWOPLZQUKARC-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-azaspiro[3.3]hept-6-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

321.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21843 162.8
[M+Na]+ 344.20037 167.1
[M-H]- 320.20387 171.3
[M+NH4]+ 339.24497 168.7
[M+K]+ 360.17431 173.4
[M+H-H2O]+ 304.20841 153.1
[M+HCOO]- 366.20935 174.9
[M+CH3COO]- 380.22500 216.2
[M+Na-2H]- 342.18582 166.7
[M]+ 321.21060 183.4
[M]- 321.21170 183.4
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

patents stripe