CID 137935623

En300-6505193

Structural Information

Molecular Formula
C18H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CN(C3)C(=O)OC(C)(C)C)OC2
InChI
InChI=1S/C18H30BNO5/c1-15(2,3)23-14(21)20-11-18(12-20)9-8-13(10-22-18)19-24-16(4,5)17(6,7)25-19/h8H,9-12H2,1-7H3
InChIKey
UATZSSHKNNXZKD-UHFFFAOYSA-N
Compound name
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-oxa-2-azaspiro[3.5]non-7-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22898 172.8
[M+Na]+ 374.21092 177.7
[M-H]- 350.21442 181.7
[M+NH4]+ 369.25552 182.7
[M+K]+ 390.18486 183.4
[M+H-H2O]+ 334.21896 165.3
[M+HCOO]- 396.21990 183.5
[M+CH3COO]- 410.23555 213.6
[M+Na-2H]- 372.19637 177.4
[M]+ 351.22115 185.1
[M]- 351.22225 185.1
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.